SCHEMBL4379596

SCHEMBL4379596

CCC(C)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36

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
Oxalic Acid SCHEMBL7991342 0.93 LMNA (0.54) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL7988365 0.87 MEN1 (0.48) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL4382478 0.85 PPARG (0.39) MEN1KMT2ALMNASMN1; SMN2KCNH2
SCHEMBL4380966 0.83 NQO1 (0.45) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL4384964 0.83 CYP17A1 (0.36) MEN1KMT2ALMNASMN1; SMN2KCNH2
SCHEMBL4386689 0.80 LMNA (0.45) ALDH1A1TSHRLMNASMN1; SMN2KCNH2
SCHEMBL7987297 0.80 HRH3 (0.54) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL7991257 0.78 CYP3A4 (0.45) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7961327 0.77 RAB9A (0.43) ALDH1A1MEN1KMT2ALMNAKCNH2
SCHEMBL4392013 0.76 HRH3 (0.43) NPC1RAB9A

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 4 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
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