SCHEMBL11565004

SCHEMBL11565004

COC(=O)C(Sc1ccc(Cl)cc1)c1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A3 Q01959 2/20 0.40
TSHR P16473 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TRPA1 O75762 1/20 0.39
HPGD P15428 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
LMNA P02545 2/20 0.37
PLA2G1B P04054 1/20 0.37
THRB P10828 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3518534 0.93 CYP2C9 (0.51) HSD17B10CYP2C9CYP2C19SLC6A3TSHR
SCHEMBL11565596 0.86 CYP2C9 (0.45) HSD17B10CYP2C9CYP2C19SLC6A3TSHR
SCHEMBL28695278 0.85 LMNA (0.53) HSD17B10CYP2C9CYP2C19L3MBTL1TRPA1
SCHEMBL28695277 0.85 LMNA (0.53) HSD17B10CYP2C9CYP2C19L3MBTL1TRPA1
SCHEMBL11565126 0.81 UTS2R (0.45) HSD17B10CYP2C9CYP2C19L3MBTL1LMNA
SCHEMBL11562550 0.80 LMNA (0.47) HSD17B10CYP2C9CYP2C19L3MBTL1LMNA
SCHEMBL28600328 0.78 CYP2C9 (0.61) HSD17B10CYP2C9CYP2C19SLC6A3TSHR
SCHEMBL3521016 0.76 CYP2C9 (0.63) HSD17B10CYP2C9CYP2C19TSHRL3MBTL1
SCHEMBL11761904 0.75 TRPA1 (0.51) HSD17B10CYP2C9CYP2C19TRPA1HPGD
SCHEMBL933765 0.75 TRPA1 (0.51) HSD17B10CYP2C9CYP2C19TRPA1HPGD

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
US-4168385-A LOWERING OF STEROL AND TRIGLYCERIDE SERUM LEVELS AMERICAN CYANAMID COMPANY (US) 1979-09-18 US disclosed
US-4125729-A Hypolipemic α-aryloxy para substituted phenyl acetic acid compounds AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed