SCHEMBL8425534

SCHEMBL8425534

[CH2]CCSc1ccc(OC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP10 Q53GL7 1/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL10345935 0.88 ALDH1A3 (0.45) ALDH1A3POLBCYP1A2CYP2C19GAA
SCHEMBL5171995 0.85 ALDH1A3 (0.42) ALDH1A3POLBCYP1A2CYP2C19GAA
SCHEMBL2154579 0.81 HPGD (0.45) ALDH1A3POLBCYP1A2CYP2C19GAA
SCHEMBL7264666 0.80 MAOA (0.54) ALDH1A3POLBCYP1A2CYP2C19GAA
SCHEMBL5167450 0.79 ALDH1A1 (0.47) GAAKMT2AALDH1A1RAB9ANPC1
SCHEMBL7050105 0.79 SLC6A4 (0.48) ALDH1A3POLBCYP1A2CYP2C19GAA
SCHEMBL1739804 0.79 ALDH1A1 (0.53) CYP1A2KMT2AALDH1A1RAB9ANPC1
SCHEMBL10345446 0.76 NPC1 (0.54) CYP1A2CYP2C19GAAKMT2AALDH1A1
SCHEMBL7055444 0.76 ALDH1A3 (0.48) ALDH1A3POLBCYP1A2CYP2C19GAA
SCHEMBL23917765 0.73 PTGIR (0.51) ALDH1A3POLBCYP1A2CYP2C19GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
EP-0655992-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed