SCHEMBL8033834

SCHEMBL8033834

C=C(C(=O)O)C(O)(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
FDPS P14324 2/20 0.47
MMP8 P22894 1/20 0.45
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
AKR1B1 P15121 1/20 0.38
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KEAP1 Q14145 1/20 0.35
SLC6A2 P23975 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CTBP2 P56545 1/20 0.35

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
SCHEMBL3805248 0.84 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
Lithium SCHEMBL8632590 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
SCHEMBL8502636 0.81 FDPS (0.50) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
SCHEMBL9354977 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
SCHEMBL9736276 0.77 SMN1; SMN2 (0.57) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
SCHEMBL16781446 0.77 SMN1; SMN2 (0.57) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
SCHEMBL26854 0.77 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
SCHEMBL19154310 0.76 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
SCHEMBL4824441 0.76 CYP3A4 (0.47) SMN1; SMN2HIF1AFDPSMMP8CYP2C9
SCHEMBL9355157 0.75 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19

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
EP-0622685-B1 Electrophotographic color proofing element and process for making the same MINNESOTA MINING & MFG (US) 2000-03-15 EP disclosed
EP-0622685-A2 Color proofing element and process for making the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-02 EP disclosed
US-5342720-A Color proofing element and process for making the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-30 US disclosed