SCHEMBL8934844

SCHEMBL8934844

CCCc1cccc(OCCCc2c[nH]c(-c3nc(CCCOc4cccc(C(O)CC)c4)c[nH]3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.43
MAPK1 P28482 2/20 0.40
ALOX5 P09917 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MTOR P42345 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL8934840 0.85 LTB4R (0.40) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL4377984 0.76 LTB4R (0.42) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL8794357 0.74 MAOB (0.47) MAPK1TSHRMEN1ALDH1A1KMT2A
SCHEMBL15016887 0.72 ALOX5 (0.56) MAPK1ALOX5TP53CYP1A2CYP3A4
SCHEMBL7976920 0.71 CYP2D6 (0.40) ALDH1A1SMN1; SMN2CYP2D6CNR1CNR2
SCHEMBL7990970 0.71 LTB4R (0.40) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL15078764 0.69 ALOX5 (0.47) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL14382693 0.68 CYP2D6 (0.57) TSHRCYP2D6CNR1CNR2PPARG
SCHEMBL29818894 0.68 LMNA (0.45) MAPK1ALOX5TP53CYP1A2CYP3A4
SCHEMBL6055172 0.67 LMNA (0.52) MAPK1ALOX5TP53CYP1A2CYP3A4

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