SCHEMBL6885764

SCHEMBL6885764

Cc1cc(C)c(NC(=O)/C=C\C(=O)O)c(C)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.79
▸ GAA P10253 3/20 0.70
▸ HPGD P15428 2/20 0.70
▸ NMT1 P30419 1/20 0.56
▸ MAPT P10636 5/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PKM P14618 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LPAR2 Q9HBW0 2/20 0.49
▸ LPAR1 Q92633 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ LPAR3 Q9UBY5 1/20 0.46
▸ CREBBP Q92793 1/20 0.45
▸ TDP2 O95551 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6885772 1.00 ALDH1A1 (0.79) ALDH1A1GAAHPGDNMT1MAPT
SCHEMBL28100786 0.84 ALDH1A1 (0.58) ALDH1A1GAAHPGDMAPTPKM
SCHEMBL9354265 0.81 ALDH1A1 (0.64) ALDH1A1GAAHPGDNMT1MAPT
SCHEMBL9354277 0.81 ALDH1A1 (0.64) ALDH1A1GAAHPGDNMT1MAPT
SCHEMBL7825460 0.79 NMT1 (0.68) ALDH1A1GAAHPGDNMT1MAPT
SCHEMBL11141342 0.79 NMT1 (0.68) ALDH1A1GAAHPGDNMT1MAPT
SCHEMBL11141344 0.79 NMT1 (0.68) ALDH1A1GAAHPGDNMT1MAPT
SCHEMBL7825464 0.79 NMT1 (0.68) ALDH1A1GAAHPGDNMT1MAPT
SCHEMBL6455411 0.79 ALDH1A1 (0.57) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL15709020 0.78 ALDH1A1 (0.78) ALDH1A1GAAHPGDNMT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106104333-A Retardation film, and polarizing plate and display device using same 柯尼卡美能达株式会社 2016-11-09 — — CN disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 — — US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 — — EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 — — WO disclosed
US-3948942-A PLANT FUNGICIDES PEPRO, SOCIETE POUR LE DEVELOPMENT ET LA VENTE DE SPECIALITIES CHIMIQUES (FR) 1976-04-06 — — US disclosed
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