SCHEMBL7989019

SCHEMBL7989019

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SOD1 P00441 1/20 0.43
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
USP2 O75604 1/20 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
SCHEMBL4385045 0.87 L3MBTL1 (0.47) LMNAHTTL3MBTL1HSD17B10USP2
SCHEMBL4385050 0.83 LMNA (0.48) LMNAHTTL3MBTL1HSD17B10USP2
SCHEMBL4383478 0.82 CHRNB2 (0.47)
Oxalic Acid SCHEMBL7990786 0.81 KDM4E (0.52) LMNAHTTL3MBTL1PPARGALOX5
SCHEMBL4392060 0.80 ALDH1A1 (0.49) POLBL3MBTL1SOD1HSD17B10
SCHEMBL7994413 0.80 HCAR2 (0.41) HSD17B10
SCHEMBL8795871 0.80 GGPS1 (0.37)
SCHEMBL4379680 0.79 KDM4E (0.49) LMNAHTR1AHTR7PPARGHSD17B10
SCHEMBL4387266 0.79 CHRM5 (0.37) HSD17B10
SCHEMBL7976920 0.79 CYP2D6 (0.40) PPARG

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-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 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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US 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