SCHEMBL11037488

SCHEMBL11037488

CCOC(=O)CCCCCC(=O)Cc1ccc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
NLRP3 Q96P20 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.40
NR4A1 P22736 1/20 0.39
NAMPT P43490 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
SCHEMBL10733546 0.96 SMN1; SMN2 (0.43) CYP4F2CYP4A11SMN1; SMN2NLRP3ALDH1A1
SCHEMBL11210879 0.90 SMN1; SMN2 (0.45) CYP4F2CYP4A11SMN1; SMN2NLRP3ALDH1A1
SCHEMBL11041480 0.86 CYP4F2 (0.57) CYP4F2CYP4A11SMN1; SMN2NLRP3ALDH1A1
SCHEMBL29668340 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NLRP3ALDH1A1CYP2C19CYP1A2
SCHEMBL16673261 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NLRP3ALDH1A1CYP2C19CYP1A2
SCHEMBL6665889 0.79 SMN1; SMN2 (0.45) CYP4F2CYP4A11SMN1; SMN2ALDH1A1TSHR
SCHEMBL14849146 0.79 CYP4F2 (0.55) CYP4F2CYP4A11SMN1; SMN2NLRP3ALDH1A1
SCHEMBL10912282 0.78 TSHR (0.50) HSD17B10TSHRTDP1
SCHEMBL28556266 0.77 ELANE (0.47) SMN1; SMN2TDP1
SCHEMBL14729157 0.77 NPC1 (0.46) SMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038343-B1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-27 EP disclosed
US-4334089-A HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT (DE) 1982-06-08 US disclosed
EP-0051077-A1 Substituted oxocarboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-05-12 EP disclosed
EP-0038343-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1981-10-28 EP disclosed
WO-1981001285-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS,PROCESS FOR THE PREPARATION THEREOF,USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-05-14 WO disclosed