SCHEMBL1552725

SCHEMBL1552725

O=C(O)/C=C\C(=O)NCc1cccc(CNC(=O)/C=C\C(=O)O)c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.80
▸ LMNA P02545 2/20 0.80
▸ CYP2D6 P10635 1/20 0.80
▸ CYP2C19 P33261 1/20 0.80
▸ POLB P06746 1/20 0.61
▸ TAAR1 Q96RJ0 5/20 0.60
▸ MMP1 P03956 4/20 0.56
▸ MMP2 P08253 4/20 0.56
▸ MMP9 P14780 4/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HTT P42858 1/20 0.52
▸ LPAR1 Q92633 1/20 0.51
▸ LPAR2 Q9HBW0 1/20 0.51

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
SCHEMBL4021293 0.89 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL4021288 0.89 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL5175917 0.89 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL4020013 0.89 ALDH1A1 (0.73) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL26761468 0.85 ALDH1A1 (0.85) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL10336384 0.83 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL27311354 0.83 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL5158355 0.83 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL15431334 0.81 ALDH1A1 (0.72) ALDH1A1LMNACYP2D6CYP2C19POLB
SCHEMBL15431349 0.81 ALDH1A1 (0.72) ALDH1A1LMNACYP2D6CYP2C19POLB

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-2119573-B1 Functionalized elastomers GOODYEAR TIRE & RUBBER (US) 2011-04-27 — — EP claimed
US-4130564-A CYCLODEHYDRATION CIBA-GEIGY CORPORATION (US) 1978-12-19 — — US disclosed
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