SCHEMBL397145

SCHEMBL397145

Cc1ccc(C)c(C[O])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AMY1A P0DUB6 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL269825 0.82 TAAR1 (0.58) TAAR1POLBALDH1A1TDP1HTT
SCHEMBL29462885 0.82 TAAR1 (0.58) TAAR1POLBALDH1A1TDP1HTT
SCHEMBL8045934 0.81 TAAR1 (0.63) TAAR1POLBALDH1A1TDP1HTT
SCHEMBL606261 0.80 TAAR1 (0.56) TAAR1POLBALDH1A1TDP1HTT
SCHEMBL95786 0.80 PYCR1 (0.44) TAAR1ALDH1A1TDP1HTTNPC1
SCHEMBL9491792 0.79 TAAR1 (0.74) TAAR1POLBALDH1A1TDP1HTT
SCHEMBL5252725 0.79 TAAR1 (0.60) TAAR1POLBALDH1A1TDP1HTT
SCHEMBL2090774 0.77 TAAR1 (0.58) TAAR1POLBALDH1A1TDP1HTT
SCHEMBL5357592 0.77 TAAR1 (0.58) TAAR1POLBALDH1A1TDP1HTT
SCHEMBL2651660 0.76 SLC6A4 (0.39) TAAR1ALDH1A1HPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 391 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459132-A Inhibition of cell proliferation, analgesic, hypotensive LABORATOIRES UPSA (FR) 1995-10-17 US claimed
WO-1995018817-A1 NOVEL ADENOSINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1995-07-13 WO claimed
CN-113387055-B Film, method for producing film, and bag 住友化学株式会社 2024-06-07 CN disclosed
CN-117425653-A Method for producing bipyridine derivative, method for producing macrocyclic compound, method for producing metal complex containing macrocyclic compound as ligand, metal complex, electrode for air battery, and air battery 住友化学株式会社 2024-01-19 CN disclosed
US-11643533-B2 Film, method of producing film, and bag SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-09 US disclosed
CN-112638997-B Film and packaging container 住友化学株式会社 2023-04-28 CN disclosed
WO-2022249992-A1 PRODUCTION METHOD FOR BIPYRIDINE DERIVATIVE, PRODUCTION METHOD FOR MACROCYCLIC COMPOUND, PRODUCTION METHOD FOR METAL COMPLEX INCLUDING MACROCYCLIC COMPOUND AS LIGAND, METAL COMPLEX, ELECTRODE FOR AIR BATTERY, AND AIR BATTERY 住友化学株式会社 2022-12-01 WO disclosed
CN-110352213-B Film 住友化学株式会社 2022-09-09 CN disclosed
US-11149102-B2 Film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-19 US disclosed
US-20210284829-A1 FILM, METHOD OF PRODUCING FILM, AND BAG SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-09-16 US disclosed
EP-3878896-A1 FILM, METHOD OF PRODUCING FILM, AND BAG SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2021-09-15 EP disclosed
CN-1205340-A Propylene coplymer SUMITOMO CHEMICAL CO (JP) 1999-01-20 CN disclosed
US-5814692-A PROTECTING POLYMERS AND LUBRICANTS AGAINST THERMAL, OXIDATIVE OR LIGHT-INDUCED DEGRADATION CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-29 US disclosed
EP-0852230-A1 TRANSITION METAL COMPLEXES, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-08 EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5459132-A Inhibition of cell proliferation, analgesic, hypotensive LABORATOIRES UPSA (FR) 1995-10-17 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995018817-A1 NOVEL ADENOSINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1995-07-13 WO disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed