SCHEMBL11869451

SCHEMBL11869451

CCCCCC=CCC=CCC=CCCCCC(C)I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
PPARG P37231 3/20 0.48
CNR1 P21554 3/20 0.48
FFAR1 O14842 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HSPD1 P10809 1/20 0.48
CYP19A1 P11511 1/20 0.48
FABP4 P15090 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL11869444 1.00 TRPV1 (0.53) TRPV1PPARGCNR1FFAR1PPARD
SCHEMBL23490678 0.83 CNR1 (0.55) TRPV1PPARGCNR1FFAR1PPARD
SCHEMBL19040782 0.83 TRPV1 (0.53) TRPV1PPARGFFAR1PPARDPPARA
SCHEMBL28289999 0.83 CNR1 (0.55) TRPV1PPARGCNR1FFAR1PPARD
SCHEMBL24719582 0.83 TRPV1 (0.53) TRPV1PPARGFFAR1PPARDPPARA
SCHEMBL31259026 0.83 CNR1 (0.55) TRPV1PPARGCNR1FFAR1PPARD
SCHEMBL28290001 0.83 CNR1 (0.55) TRPV1PPARGCNR1FFAR1PPARD
SCHEMBL15508739 0.82
SCHEMBL19572670 0.82 TRPV1 (0.73) TRPV1PPARGCNR1FFAR1PPARD
SCHEMBL3682342 0.82 TRPV1 (0.73) TRPV1PPARGCNR1FFAR1PPARD

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-3953499-A 8,12-Dialkyl-PGE, and PGF1.sub.α THE UPJOHN COMPANY (US) 1976-04-27 US disclosed