SCHEMBL8934840

SCHEMBL8934840

CCC(O)c1cccc(OCCCc2c[nH]cn2)c1.CCCc1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.40
ALOX5 P09917 2/20 0.39
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MTOR P42345 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4377984 0.93 LTB4R (0.42) LTB4RALOX5MAPK1TP53CYP1A2
SCHEMBL7976920 0.88 CYP2D6 (0.40) ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL7990970 0.87 LTB4R (0.40) LTB4RALOX5MAPK1TP53CYP1A2
SCHEMBL8934844 0.85 LTB4R (0.43) LTB4RALOX5MAPK1TP53CYP1A2
SCHEMBL4392060 0.80 ALDH1A1 (0.49) MAPK1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL4379680 0.79 KDM4E (0.49) ALOX5TSHRMEN1ALDH1A1LMNA
SCHEMBL8795871 0.74 GGPS1 (0.37)
SCHEMBL7990838 0.74 KDM4E (0.35) LTB4RALOX5TSHRMEN1ALDH1A1
SCHEMBL15016887 0.73 ALOX5 (0.56) ALOX5MAPK1TP53CYP1A2CYP3A4
SCHEMBL8794353 0.73 MAOB (0.47) MAPK1TSHRMEN1ALDH1A1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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