SCHEMBL8987362

SCHEMBL8987362

CCOC(=O)CCCCCOc1cc(-c2ccccc2)c2cc(OC)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.58
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
PDE5A O76074 1/20 0.44
TOP2A P11388 1/20 0.43

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
SCHEMBL8986996 0.89 LTB4R (0.73) LTB4R
SCHEMBL8986940 0.88 LTB4R (0.75) LTB4RPDE5ATOP2A
SCHEMBL9291792 0.88 LTB4R (0.75) LTB4RPDE5ATOP2A
SCHEMBL8987489 0.88 LTB4R (0.75) LTB4RPDE5ATOP2A
SCHEMBL11184442 0.83 LTB4R (0.67) LTB4RPDE5ATOP2A
SCHEMBL8987022 0.81 PTPN1 (0.52) LTB4RPTPN1ALDH1A1GAAHPGD
SCHEMBL8987309 0.79 LTB4R (0.79) LTB4R
SCHEMBL8986999 0.78 LTB4R (0.73) LTB4R
SCHEMBL8987406 0.76 LTB4R (0.63) LTB4R
SCHEMBL8987071 0.75 LTB4R (0.68) LTB4R

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