SCHEMBL20876112

SCHEMBL20876112

O=C(O)CC(Cc1ccccc1O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.62
CPA3 P15088 2/20 0.62
CPB1 P15086 1/20 0.62
CPB2 Q96IY4 1/20 0.62
AKR1B1 P15121 1/20 0.55
FOLH1 Q04609 2/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.43
MME P08473 1/20 0.42
LTA4H P09960 2/20 0.42
HSPA5 P11021 1/20 0.42

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
SCHEMBL7388453 0.89 AKR1B1 (0.57) CPA1CPA3CPB1CPB2AKR1B1
SCHEMBL16491918 0.84 AKR1B1 (0.52) CPA1CPA3CPB1CPB2AKR1B1
SCHEMBL13857860 0.82 PPARG (0.50) AKR1B1CYP1A2
SCHEMBL16151060 0.82 AKR1B1 (0.50) CPA1CPA3CPB1CPB2AKR1B1
SCHEMBL7299030 0.81 CPA1 (0.61) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL13990183 0.81 CPA1 (0.61) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL17537592 0.80 CPA1 (0.65) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL490938 0.79 KMT2A (0.60) AKR1B1CYP1A2TSHRHSPA5
SCHEMBL5079144 0.79 AKR1B1 (0.55) CPA1CPA3CPB1CPB2AKR1B1
SCHEMBL9863542 0.79 AKR1B1 (0.55) CPA1CPA3CPB1CPB2AKR1B1

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-3691624-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOSE INTOLERANCE RELATED CONDITIONS AND OBESITY. Sorbonne Université (FR) 2020-08-12 EP disclosed
WO-2019068788-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOSE INTOLERANCE RELATED CONDITIONS AND OBESITY. Sorbonne Université (FR) 2019-04-11 WO disclosed