SCHEMBL8941420

SCHEMBL8941420

CC(C)c1ccc(C2=NOC(C(C)N(O)C(N)=O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.38
ALOX5 P09917 6/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KIF11 P52732 1/20 0.36
APAF1 O14727 1/20 0.36
GRK2 P25098 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8941438 0.88 POLB (0.50) POLBNPC1RAB9AAPAF1GRK2
SCHEMBL8941571 0.88 ALOX5 (0.47) ALOX5POLBNPC1RAB9ACA1
SCHEMBL8941414 0.84 F10 (0.42) MIFALOX5LMNACYP1A2
SCHEMBL8941576 0.83 ALOX5 (0.48) MIFALOX5POLBNPC1RAB9A
SCHEMBL8941751 0.76 ALOX5 (0.53) ALOX5NPC1RAB9AHPGDLMNA
SCHEMBL12556075 0.67 MIF (0.56) MIFPOLBAPAF1GRK2APOBEC3G
SCHEMBL12518906 0.67 MIF (0.55) MIF
SCHEMBL8941462 0.66 PPARG (0.44) ALOX5POLBNPC1RAB9AAPAF1
SCHEMBL21066127 0.66 NPC1 (0.49) NPC1RAB9ACA1CA2HPGD
SCHEMBL12747543 0.64 MIF (0.61) MIFPOLBNPC1RAB9AHPGD

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