SCHEMBL11064768

SCHEMBL11064768

O=C(O)CC1c2ccccc2CCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FFAR1 O14842 1/20 0.41
PIN1 Q13526 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KEAP1 Q14145 2/20 0.39

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
SCHEMBL2067933 0.84 PYGL (0.42) TSHRNPSR1MEN1KMT2A
SCHEMBL8702315 0.80 KDM1A (0.44) EPHX2FFAR1
SCHEMBL9266532 0.79 CYP1A2 (0.46) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13453149 0.77 LMNA (0.43) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
Succinic Acid SCHEMBL139964 0.77 HTR2C (0.45) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7845908 0.77 FFAR1 (0.62) FFAR1
SCHEMBL7901109 0.77 CYP1A2 (0.47) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7847075 0.77 FFAR1 (0.62) FFAR1
SCHEMBL1470461 0.77 FFAR1 (0.62) FFAR1
SCHEMBL14226877 0.77 CYP1A2 (0.47) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471124-A DIABETIC COMPLICATIONS PFIZER INC. (US) 1984-09-11 US disclosed
US-4442114-A COMPLICATIONS OF DIABETES PFIZER INC. (US) 1984-04-10 US disclosed
US-4307108-A DIABETES PFIZER INC. (US) 1981-12-22 US disclosed