SCHEMBL8941364

SCHEMBL8941364

CNC(=O)N(O)CC#Cc1cccc(C2=NOC(c3ccccc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.47
PPARA Q07869 8/20 0.47
ALOX5 P09917 1/20 0.39
PTPN1 P18031 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8941351 0.92 PPARG (0.48) PPARGPPARALMNATSHRNPC1
SCHEMBL8941430 0.88 ALOX5 (0.51) PPARGPPARAALOX5PTPN1FAAH
SCHEMBL8941348 0.80 PPARG (0.48) PPARGPPARAALOX5LMNATSHR
SCHEMBL8609409 0.80 NPC1 (0.45) ALOX5LMNATSHRNPC1RAB9A
SCHEMBL4729170 0.80 NPC1 (0.45) ALOX5LMNATSHRNPC1RAB9A
SCHEMBL4729172 0.80 NPC1 (0.45) ALOX5LMNATSHRNPC1RAB9A
SCHEMBL8941436 0.75 PPARG (0.47) PPARGPPARAALOX5CA1CA2
SCHEMBL8941747 0.75 ALOX5 (0.53) PPARGPPARAALOX5
SCHEMBL8655026 0.75 MAPT (0.48) ALOX5NPC1RAB9AALDH1A1
SCHEMBL8656547 0.75 MAPT (0.48) ALOX5NPC1RAB9AALDH1A1

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
US-5552424-A Isoxazolines as antiinflammatory agents PFIZER INC. (US) 1996-09-03 US disclosed