SCHEMBL28491109

SCHEMBL28491109

COC(=O)CC1(C)CC1S

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 1/20 0.37
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ EPHX2 P34913 4/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32

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
SCHEMBL8345064 0.71 EPHX2 (0.32) TSHRTP53EPHX2
SCHEMBL4270319 0.70 CYP2D6 (0.36) TP53EPHX2CA12CA2CA7
SCHEMBL29527394 0.70 ALDH1A1 (0.48) TSHRTP53EPHX2
SCHEMBL598045 0.69 — —
SCHEMBL30108855 0.67 TP53 (0.42) TSHRTP53GAA
SCHEMBL9219469 0.67 — —
SCHEMBL14530595 0.67 TP53 (0.37) TSHRHSD17B10TP53MGAMGAA
SCHEMBL28163283 0.67 TP53 (0.37) TSHRHSD17B10TP53MGAMGAA
SCHEMBL2747445 0.67 ALDH1A1 (0.60) TSHRHSD17B10EPHX2
SCHEMBL14072550 0.67 ALDH1A1 (0.45) TSHRTP53GAA

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
CN-111902398-A Novel salt forms of URAT-1 inhibitors 益方生物科技(上海)有限公司 2020-11-06 — — CN disclosed
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