SCHEMBL4379352

SCHEMBL4379352

C/C=C(/CC)c1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
PRSS1 P07477 6/20 0.37
ESR1 P03372 4/20 0.37
SMPD1 P17405 3/20 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
SCHEMBL4379354 1.00 KMT2A (0.39) KMT2APRSS1ESR1SMPD1
Trifluoroacetic Acid SCHEMBL4392043 0.91 KMT2A (0.40) KMT2AESR1SMPD1
Trifluoroacetic Acid SCHEMBL4392038 0.91 KMT2A (0.40) KMT2AESR1SMPD1
SCHEMBL4383633 0.85 KMT2A (0.45) KMT2AESR1SMPD1
SCHEMBL4379687 0.82 KMT2A (0.50) KMT2A
SCHEMBL4543078 0.80 PRSS1 (0.38) KMT2APRSS1SMPD1
SCHEMBL4543075 0.80 PRSS1 (0.38) KMT2APRSS1SMPD1
SCHEMBL4379265 0.79 KMT2A (0.46) KMT2AESR1SMPD1
SCHEMBL4543312 0.79 KMT2A (0.49) KMT2ASMPD1
SCHEMBL8794353 0.78 MAOB (0.47) KMT2A

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed