SCHEMBL9294166

SCHEMBL9294166

CCO/C=C/C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NR1H4 Q96RI1 3/20 0.54
MITF O75030 2/20 0.54
LTB4R Q15722 1/20 0.54
PAX8 Q06710 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
PARP1 P09874 6/20 0.50
PARP10 Q53GL7 5/20 0.50
PARP14 Q460N5 4/20 0.50
PARP15 Q460N3 3/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL9294171 1.00 CREBBP (0.55) CREBBPNPC1RAB9ASMN1; SMN2NR1H4
SCHEMBL9293883 0.88 HIF1A (0.61) CREBBPNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9293885 0.88 HIF1A (0.61) CREBBPNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12455934 0.84 EGFR (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL94198 0.84 EGFR (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19501547 0.84 LPAR1 (0.51) CREBBPNPC1RAB9ASMN1; SMN2MITF
SCHEMBL27258987 0.83 MMP1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2428674 0.82 MAOB (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7273555 0.82 MAOB (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1439557 0.82 TRPV1 (0.48) CREBBPNPC1RAB9ASMN1; SMN2MEN1

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
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed