SCHEMBL9100724

SCHEMBL9100724

Cc1cc(C(=O)c2ccccc2)ccc1C(=O)O.Cc1ccc(C(=O)c2ccccc2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 1/20 0.54
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
SRD5A2 P31213 2/20 0.49
CNR2 P34972 1/20 0.48
LTC4S Q16873 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
Benzophenone SCHEMBL27945369 0.92 AKR1C3 (0.58) AKR1C3POLBALDH1A1KDM4ENPSR1
SCHEMBL8643921 0.90 ALDH1A1 (0.64) AKR1C3POLBALDH1A1KDM4ECDC25A
SCHEMBL50128 0.90 AKR1C3 (0.59) AKR1C3POLBALDH1A1KDM4ENPSR1
SCHEMBL29380078 0.90 AKR1C3 (0.59) AKR1C3POLBALDH1A1KDM4ENPSR1
SCHEMBL12337417 0.88 ALDH1A1 (0.61) AKR1C3POLBALDH1A1KDM4ECDC25A
SCHEMBL28379548 0.85 AKR1C3 (0.64) AKR1C3POLBALDH1A1KDM4ECDC25A
SCHEMBL8417273 0.83 CDC25A (0.62) AKR1C3POLBALDH1A1KDM4ECDC25A
SCHEMBL2518517 0.83 KDM4E (0.70) AKR1C3POLBALDH1A1KDM4ECDC25A
SCHEMBL10952578 0.83 ALDH1A1 (0.58) AKR1C3ALDH1A1NPSR1SRD5A2L3MBTL1
SCHEMBL29893875 0.83 ALDH1A1 (0.61) AKR1C3POLBALDH1A1KDM4ECDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707656-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
WO-1995002061-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1995-01-19 WO disclosed