SCHEMBL8700747

SCHEMBL8700747

C/C(=C/C(=O)NC(C(=O)O)C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.52
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.49
NR4A2 P43354 1/20 0.49
CREBBP Q92793 1/20 0.49
MEN1 O00255 2/20 0.48
GPR84 Q9NQS5 1/20 0.48
ATM Q13315 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 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
SCHEMBL7609672 0.79 PBRM1 (0.67) PBRM1KMT2AALDH1A1NR4A2CREBBP
SCHEMBL29113776 0.71 ALDH1A1 (0.56) PBRM1KMT2AALDH1A1NR4A2CREBBP
SCHEMBL1586378 0.71 ALDH1A1 (0.56) PBRM1KMT2AALDH1A1NR4A2CREBBP
SCHEMBL8700750 0.71 SMN1; SMN2 (0.51) KMT2AALDH1A1ALOX15MEN1LMNA
SCHEMBL50742 0.70 PBRM1 (1.00) PBRM1KMT2AALDH1A1NR4A2CREBBP
SCHEMBL29531272 0.70 PBRM1 (1.00) PBRM1KMT2AALDH1A1NR4A2CREBBP
SCHEMBL15577111 0.70 PBRM1 (0.67) PBRM1KMT2AALDH1A1NR4A2CREBBP
SCHEMBL64182 0.70 GPR84 (0.77) PBRM1KMT2AALDH1A1NR4A2CREBBP
SCHEMBL17232878 0.70 PBRM1 (0.71) PBRM1KMT2AALDH1A1NR4A2CREBBP
SCHEMBL19459867 0.70 ALOX5 (0.63) KMT2AMEN1NPC1RAB9A

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
US-5846942-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1998-12-08 US disclosed
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed