SCHEMBL7124340

SCHEMBL7124340

CCc1ccc(C=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
ALDH1A3 P47895 6/20 0.46
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH3A1 P30838 4/20 0.42
TSHR P16473 1/20 0.41
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
FDPS P14324 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER4 P35408 1/20 0.38
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.37

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
SCHEMBL16501313 0.86 ALDH1A1 (0.42) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10
SCHEMBL14709469 0.83 ALDH1A1 (0.43) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10
SCHEMBL19823847 0.83 ALDH1A1 (0.43) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10
SCHEMBL8340332 0.83 ALDH1A1 (0.43) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10
SCHEMBL7125837 0.83 CYP2A6 (0.44) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10
SCHEMBL606640 0.82 ALDH1A1 (0.45) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10
SCHEMBL16958521 0.81 PTGS1 (0.42) PTGS2RAB9AALOX5PTGS1LMNA
SCHEMBL12802253 0.81 TDP1 (0.42) ALDH1A1TDP1TSHRPTGS2ALOX5
SCHEMBL21836002 0.79 SRC (0.56) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10
SCHEMBL12437264 0.78 ALDH1A1 (0.42) ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605245-B Method for preparing aromatic aldehyde 中国科学院大连化学物理研究所 2023-07-07 CN disclosed
CN-114605245-A Method for preparing aromatic aldehyde 中国科学院大连化学物理研究所 2022-06-10 CN disclosed
WO-2009131090-A1 AMINO ACID COMPOUND 旭化成ファーマ株式会社 (JP) 2009-10-29 WO disclosed
EP-1379675-B1 METHOD FOR THE OXIDATION OF AROMATIC COMPOUNDS BASF SE (DE) 2008-11-05 EP disclosed
EP-0945452-B1 SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS NEW JAPAN CHEM CO LTD (JP) 2003-11-19 EP disclosed
CN-1101389-C Sugar compounds, gelling agents, gelling agent compositions, processes for the preparation of them and gel compositions NEW NIPPON CHEMICAL CO LTD (JP) 2003-02-12 CN disclosed
US-6187842-B1 REACTING SORBITOL OR XYLITOL WITH BENZALDEHYE IN PRESENCE OF ACID CATALYST NEW JAPAN CHEMICAL CO., LTD. (JP) 2001-02-13 US disclosed
CN-1238769-A Sugar compounds, gelling agents, gelling agent compositions, processes for the preparation of them and gel compositions NEW JAPAN CHEM CO LTD (JP) 1999-12-15 CN disclosed
EP-0945452-A1 SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS NEW JAPAN CHEMICAL CO.,LTD. (JP) 1999-09-29 EP disclosed
EP-0647643-A1 Bis(3,4-dialkylbenzylidene) sorbitol acetals and compositions containing same MILLIKEN RESEARCH CORPORATION (US) 1995-04-12 EP disclosed
US-5135975-A Plastic additives useful as nucleating agents for food or cosmetic containers or packaging MILLIKEN RESEARCH CORPORATION (US) 1992-08-04 US disclosed
US-5049605-A Nucleation, food or cosmetic packaging MILLIKEN RESEARCH CORPORATION (US) 1991-09-17 US disclosed
EP-0421634-A2 Use of bis(3,4-dialkylbenzylidene) sorbitol acetals and of compositions containing it MILLIKEN RESEARCH CORPORATION (US) 1991-04-10 EP disclosed