SCHEMBL6438569

SCHEMBL6438569

C=C(C)C(=O)Nc1ccccc1C(=O)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
LMNA P02545 4/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
DHODH Q02127 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL754132 0.85 CYP2C19 (0.58) HPGDLMNACES2CES1ALDH1A1
SCHEMBL2053138 0.82 LMNA (0.52) HPGDLMNACES2CES1KDM4E
SCHEMBL29367052 0.80 DHODH (0.62) LMNAKDM4EALDH1A1DHODHTRPM8
SCHEMBL346345 0.80 DHODH (0.62) LMNAKDM4EALDH1A1DHODHTRPM8
SCHEMBL5843726 0.79 MDM4 (0.53) HPGDLMNACES2CES1KDM4E
SCHEMBL11537231 0.79 DHODH (0.60) LMNAKDM4EALDH1A1DHODHTRPM8
SCHEMBL1395462 0.79 LMNA (0.52) HPGDLMNACES2CES1KDM4E
SCHEMBL6447139 0.78 TGM2 (0.47) HPGDLMNACES2CES1KDM4E
SCHEMBL6839189 0.77 HPGD (0.54) HPGDLMNACES2CES1KDM4E
SCHEMBL10911198 0.77 HPGD (0.58) HPGDLMNACES2CES1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680364-B1 Water dispersible polyamides with ethylenically unsaturated ends ATOFINA (FR) 2004-01-20 US claimed
EP-1187869-B1 WATER DISPERSIBLE POLYAMIDES WITH ETHYLENICALLY UNSATURATED ENDS ATOFINA (FR) 2002-12-04 EP claimed
US-8642716-B2 Branched polyamides comprising unsaturated ends ARKEMA FRANCE (FR) 2014-02-04 US disclosed
US-20050245680-A1 Branched polyamides comprising unsaturated ends ARKEMA FRANCE (FR) 2005-11-03 US disclosed