SCHEMBL8987018

SCHEMBL8987018

O=C(O)CCCC/C=C/c1cc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.57
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CTNNB1 P35222 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACACA Q13085 2/20 0.46
TBXAS1 P24557 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
EGFR P00533 1/20 0.40
HPGD P15428 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
SCHEMBL8987023 1.00 LTB4R (0.57) LTB4RALDH1A1MEN1USP2MAPT
SCHEMBL8987305 0.84 MAPT (0.56) LTB4RALDH1A1MEN1USP2MAPT
SCHEMBL8987310 0.84 MAPT (0.56) LTB4RALDH1A1MEN1USP2MAPT
SCHEMBL7832861 0.78 CYSLTR2 (0.59) LTB4RALDH1A1MEN1MAPTKMT2A
SCHEMBL7832237 0.78 CYSLTR2 (0.59) LTB4RALDH1A1MEN1MAPTKMT2A
SCHEMBL7832243 0.78 CYSLTR2 (0.59) LTB4RALDH1A1MEN1MAPTKMT2A
SCHEMBL8987097 0.74 LTB4R (0.65) LTB4RMAPTRXFP1ACACAPTGIR
SCHEMBL8650191 0.74 CYSLTR2 (0.55) LTB4RALDH1A1MEN1MAPTKMT2A
SCHEMBL8650189 0.74 CYSLTR2 (0.55) LTB4RALDH1A1MEN1MAPTKMT2A
SCHEMBL7820483 0.74 CYSLTR2 (0.60) LTB4RALDH1A1MEN1MAPTMAPK1

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