SCHEMBL8623445

SCHEMBL8623445

CCCc1ccc(CCCC(C)=CCCCI)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
LSS P48449 2/20 0.37
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
TRPA1 O75762 1/20 0.35
INHA P05111 1/20 0.35
HTR2A P28223 1/20 0.35
OPRM1 P35372 1/20 0.35
PPARG P37231 1/20 0.35
KCNH2 Q12809 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
TRPV2 Q9Y5S1 1/20 0.35
HSD17B10 Q99714 3/20 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
SCHEMBL8623439 1.00 CNR1 (0.37) CNR1CNR2TRPV1LSSLPL
SCHEMBL8622275 0.86 SQLE (0.42) CNR1CNR2TRPV1LSSLPL
SCHEMBL8622279 0.86 SQLE (0.42) CNR1CNR2TRPV1LSSLPL
SCHEMBL8618485 0.81 LSS (0.48) TRPV1LSSSLC6A3HSD17B10ALDH1A1
SCHEMBL8621505 0.81 LSS (0.48) TRPV1LSSSLC6A3HSD17B10ALDH1A1
SCHEMBL8626252 0.78 TRPV1 (0.46) TRPV1LSSSLC6A3HSD17B10ALDH1A1
SCHEMBL8626255 0.78 TRPV1 (0.46) TRPV1LSSSLC6A3HSD17B10ALDH1A1
SCHEMBL9633161 0.75 LPL (0.46) TRPV1LPLLIPGSLC6A2SLC6A4
SCHEMBL8618348 0.73 ENPP2 (0.37)
SCHEMBL8618340 0.73 ENPP2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed