SCHEMBL4079916

SCHEMBL4079916

O=C(O)c1ccccc1C1COOC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 6/20 0.48
ALOX15 P16050 1/20 0.48
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
NAPRT Q6XQN6 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA6 P23280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
POLB P06746 1/20 0.39
AKR1C3 P42330 1/20 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
SCHEMBL29782303 0.89 CYP2C9 (0.51) CYP2C9ALDH1A1ALOX15CA12CA1
SCHEMBL14717465 0.82 CYP2C9 (0.46) CYP2C9ALDH1A1ALOX15CA12CA1
SCHEMBL30175300 0.82 ALDH1A1 (0.54) CYP2C9ALDH1A1ALOX15CA12CA1
SCHEMBL4109572 0.82 ALDH1A1 (0.54) CYP2C9ALDH1A1ALOX15CA12CA1
SCHEMBL10457353 0.82 ALDH1A1 (0.54) CYP2C9ALDH1A1ALOX15CA12CA1
Hydrochloric Acid SCHEMBL29705669 0.80 ALDH1A1 (0.52) CYP2C9ALDH1A1ALOX15CA12CA1
SCHEMBL3634253 0.78 ALDH1A1 (0.50) CYP2C9ALDH1A1ALOX15CA12CA1
SCHEMBL5196202 0.78 ALDH1A1 (0.50) CYP2C9ALDH1A1ALOX15CA12CA1
SCHEMBL2731512 0.78 ALDH1A1 (0.50) CYP2C9ALDH1A1ALOX15CA12CA1
SCHEMBL5518071 0.78 CYP2C9 (0.53) CYP2C9ALDH1A1ALOX15CA12CA1

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-2044004-A2 BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY Amgen Inc. (US) 2009-04-08 EP disclosed
WO-2007145835-A2 BENZAMIDE DERIVATIVES AS MODULATORS OF 11BETA-HSD1 FOR TREATING DIABETES AND OBESITY AMGEN INC. (US) 2007-12-21 WO disclosed