SCHEMBL4383633

SCHEMBL4383633

CCC(=O)c1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
SMPD1 P17405 3/20 0.43
PLA2G4B P0C869 1/20 0.40
ESR1 P03372 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL4379265 0.94 KMT2A (0.46) KMT2ATHRATHRBSMPD1PLA2G4B
SCHEMBL4379687 0.88 KMT2A (0.50) KMT2A
SCHEMBL7977335 0.85 SMN1; SMN2 (0.51)
SCHEMBL4379354 0.85 KMT2A (0.39) KMT2ASMPD1ESR1
SCHEMBL4379352 0.85 KMT2A (0.39) KMT2ASMPD1ESR1
SCHEMBL4543312 0.84 KMT2A (0.49) KMT2ASMPD1
SCHEMBL8794353 0.83 MAOB (0.47) KMT2ATSHRMAPK1POLB
SCHEMBL7987286 0.82 HIF1A (0.39) KMT2ASMPD1
Oxalic Acid SCHEMBL4378004 0.81 MAOB (0.47) KMT2ASMPD1PLA2G4B
Trifluoroacetic Acid SCHEMBL4392038 0.81 KMT2A (0.40) KMT2ASMPD1PLA2G4BESR1

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 6 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
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 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