SCHEMBL9161502

SCHEMBL9161502

O=C(O)c1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C(=O)O)c3)c(C(=O)O)cc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.68
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.57
NR1H4 Q96RI1 1/20 0.56
POLB P06746 1/20 0.55
FFAR1 O14842 1/20 0.54
CREBBP Q92793 2/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.52
PPARA Q07869 1/20 0.52
GPR35 Q9HC97 1/20 0.52

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
SCHEMBL9157180 1.00 HPSE (0.68) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL9161426 0.94 MEN1 (0.66) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL9164792 0.94 MEN1 (0.66) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL6855624 0.89 HPSE (0.59) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL9158022 0.89 MEN1 (0.62) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL9157758 0.89 MEN1 (0.62) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL6852782 0.89 HPSE (0.62) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL29204765 0.88 HPSE (0.63) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL2058337 0.83 ALDH1A1 (0.71) HPSEKMT2AMEN1NPC1RAB9A
SCHEMBL6852858 0.82 MEN1 (0.60) HPSEKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342652-B1 Thermoplastic wholly aromatic copolyimide ester and process for producing the same IDEMITSU PETROCHEMICAL CO (JP) 1995-03-08 EP disclosed
US-5003030-A Thermoplastic wholly aromatic copolyimide ester and process for producing the same IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1991-03-26 US disclosed
EP-0342652-A2 Thermoplastic wholly aromatic copolyimide ester and process for producing the same IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1989-11-23 EP disclosed