SCHEMBL8987329

SCHEMBL8987329

CCOC(=O)CCCCCOc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
FAAH O00519 3/20 0.42
ALDH2 P05091 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 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
SCHEMBL8987198 0.89 FAAH (0.51) LTB4RFAAHMAPTTDP1LMNA
SCHEMBL8987122 0.88 ALDH2 (0.46) LTB4RFAAHALDH2MAOAMAOB
SCHEMBL8987118 0.85 LTB4R (0.57) LTB4RMALT1
SCHEMBL8987233 0.77 LTB4R (0.54) LTB4RFAAHALDH1A1SMN1; SMN2
SCHEMBL8987182 0.74 LTB4R (0.52) LTB4RKMT2AALDH1A1GAAHPGD
SCHEMBL9291667 0.74 LTB4R (0.57) LTB4R
SCHEMBL8986957 0.74 LTB4R (0.57) LTB4R
SCHEMBL8987144 0.74 LTB4R (0.57) LTB4R
SCHEMBL5360423 0.72 FAAH (0.52) LTB4RFAAHTDP1
SCHEMBL5366170 0.72 FAAH (0.52) LTB4RFAAHTDP1

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-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed