SCHEMBL9023153

SCHEMBL9023153

O=Cc1cn(Cc2ccccc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.63
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LTB4R2 Q9NPC1 5/20 0.52
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK14 Q16539 1/20 0.50
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL28524187 0.91 LTB4R (0.57) LTB4RPPARGPPARDPPARAALDH1A1
SCHEMBL28910240 0.90 LTB4R (0.56) LTB4RKMT2AMEN1NPC1RAB9A
SCHEMBL9732913 0.89 LTB4R (0.59) LTB4RKMT2AMEN1LTB4R2ALDH1A1
SCHEMBL21178247 0.89 LTB4R (0.68) LTB4RKMT2AMEN1NPC1RAB9A
SCHEMBL28530566 0.89 LTB4R (0.52) LTB4RKMT2AMEN1NPC1RAB9A
SCHEMBL6642863 0.88 LTB4R (0.59) LTB4RKMT2AMEN1NPC1RAB9A
SCHEMBL27649356 0.88 LTB4R (0.50) LTB4RKMT2AMEN1NPC1RAB9A
SCHEMBL8685900 0.88 ALDH1A1 (0.64) LTB4RKMT2AMEN1NPC1RAB9A
SCHEMBL9584018 0.86 PLA2G2A (0.61) ALDH1A1LMNA
SCHEMBL9733878 0.85 ALDH1A1 (0.65) LTB4RKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
US-5468898-A Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-21 US disclosed
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 WO disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed
US-4758586-A Indolyl compounds and hyposensitivity use thereof USV PHARMACEUTICAL CORP. (US) 1988-07-19 US disclosed
EP-0189936-A2 Hyposensitivity compounds USV PHARMACEUTICAL CORPORATION (US) 1986-08-06 EP disclosed