SCHEMBL9634087

SCHEMBL9634087

CC(C)=CCC/C(C)=C/c1cccc(CCCI)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
TRPV1 Q8NER1 4/20 0.41
PPARA Q07869 4/20 0.41
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
TRPA1 O75762 1/20 0.41
INHA P05111 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
TRPV2 Q9Y5S1 1/20 0.41
GGPS1 O95749 1/20 0.36
PTPN1 P18031 1/20 0.35
BACE1 P56817 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
SCHEMBL9634094 1.00 PPARG (0.41) PPARGTRPV1PPARACNR2CNR1
SCHEMBL9631997 0.88 SQLE (0.43) PPARGTRPV1PPARACNR2CNR1
SCHEMBL9632012 0.88 SQLE (0.43) PPARGTRPV1PPARACNR2CNR1
SCHEMBL9130559 0.83 TRPV1 (0.39) PPARGTRPV1PPARACNR2CNR1
SCHEMBL9130547 0.83 TRPV1 (0.39) PPARGTRPV1PPARACNR2CNR1
SCHEMBL9633367 0.83 HMGCR (0.36)
SCHEMBL9310128 0.82 PPARG (0.43) PPARGTRPV1PPARAGGPS1
SCHEMBL9310117 0.82 PPARG (0.43) PPARGTRPV1PPARAGGPS1
SCHEMBL9633735 0.82 TRPV1 (0.50) PPARGTRPV1PPARACNR2
SCHEMBL9633729 0.82 TRPV1 (0.50) PPARGTRPV1PPARACNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed