SCHEMBL28317527

SCHEMBL28317527

O=C(CO)C(O)CCc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TRPA1 O75762 1/20 0.37

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
SCHEMBL21447942 0.81 FFAR1 (0.46) FFAR1DPP4S1PR1TAAR1MEN1
SCHEMBL1434710 0.76 TSHR (0.49) DPP4TAAR1HPGDMEN1KMT2A
SCHEMBL14327418 0.74 TAAR1 (0.50) TAAR1
SCHEMBL7901233 0.73 CYP1A2 (0.50) FFAR1PTGFR
SCHEMBL5871596 0.73 FFAR1 (0.49) FFAR1DPP4TAAR1MEN1KMT2A
SCHEMBL11610509 0.73 TAAR1 (0.41) TAAR1MEN1KMT2APTGER1PTGFR
SCHEMBL7202485 0.71 S1PR2 (0.48) FFAR1S1PR1KDM4EALDH1A1
SCHEMBL1139516 0.71 MMP12 (0.68) FFAR1DPP4PTGER1PTGFR
SCHEMBL4258389 0.71 MMP12 (0.68) FFAR1DPP4PTGER1PTGFR
SCHEMBL7202478 0.71 S1PR2 (0.48) FFAR1S1PR1KDM4EALDH1A1

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
CN-105451775-B Drug antibody conjugate 法马马有限公司 2019-09-06 — — CN disclosed
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