SCHEMBL7903568

SCHEMBL7903568

O=C(O)CCC(Cc1ccccc1CC(CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 2/20 0.73
▸ FOLH1 Q04609 6/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CPA1 P15085 2/20 0.47
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ NAALAD2 Q9Y3Q0 1/20 0.47

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
SCHEMBL27784429 0.88 CPA3 (0.63) CPA3FOLH1CYP1A2ALDH1A1CYP2D6
SCHEMBL3963424 0.85 CPA3 (1.00) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL29088272 0.85 CPA3 (1.00) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL17537902 0.80 CPA3 (0.85) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL7350860 0.79 CPA3 (0.71) CPA3FOLH1CYP1A2CPA1
SCHEMBL8043312 0.78 CYSLTR2 (0.56) CPA3FOLH1
SCHEMBL6721538 0.77 KMT2A (0.59) CPA3FOLH1CPA1
SCHEMBL27611086 0.77 FOLH1 (0.53) CPA3FOLH1CYP1A2ALDH1A1CYP2D6
SCHEMBL8747294 0.76 CYSLTR2 (0.54) CPA3FOLH1
SCHEMBL9408507 0.76 CYSLTR2 (0.64) CPA3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187435-B1 FOR REINFORCEMENT OF PLASTICS, CEMENTS; IN TEXTILES FOR WARPS; TENSILE STRENGTH, WEAR RESISTANCE VERTROTEX FRANCE (FR) 2001-02-13 — — US disclosed
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