SCHEMBL11662452

SCHEMBL11662452

CC(C)(CC=Cc1ccccc1)Oc1ccc(OC(C)(C)CC=Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.44
RAB9A P51151 1/20 0.44
TRPA1 O75762 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
IDO1 P14902 2/20 0.43
HTR2A P28223 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39

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
SCHEMBL3626140 0.80 IDO1 (0.44) RELARAB9ATRPA1MMP1MMP9
SCHEMBL3801957 0.79 IDO1 (0.43) RELARAB9ATRPA1MMP1MMP9
SCHEMBL18499905 0.78 CHRNA7 (0.37) RELAMMP1MMP9MMP13PPARA
SCHEMBL23919129 0.77 HTR2A (0.48) MMP1MMP9MMP13IDO1HTR2A
SCHEMBL11048026 0.77 HTR2A (0.48) MMP1MMP9MMP13IDO1HTR2A
SCHEMBL7213513 0.74 IDO1 (0.42) RELARAB9ATRPA1MMP1MMP9
SCHEMBL9466771 0.73 PAM (0.48) MMP1MMP9MMP13IDO1HTR2A
SCHEMBL10746755 0.73 PAM (0.48) MMP1MMP9MMP13IDO1HTR2A
SCHEMBL7541661 0.73 TRPA1 (0.61) RELARAB9ATRPA1PPARAPPARG
SCHEMBL7541659 0.73 TRPA1 (0.61) RELARAB9ATRPA1PPARAPPARG

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-4096107-A UNSATURATED PREPOLYMER, ADDITION COPOLYMER OF AN UNSATURATED ACID 3R ANHYDRIDE, CROSSLINKING AGENT OWENS-CORNING FIBERGLAS CORPORATION (US) 1978-06-20 US disclosed