SCHEMBL27838515

SCHEMBL27838515

CCC(CCOS(C)(=O)=O)C1CO1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL2386382 0.74 USP2 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2386379 0.74 USP2 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2386378 0.74 USP2 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL51996 0.71 — —
SCHEMBL18418958 0.71 THRB (0.37) ALDH1A1
SCHEMBL51195 0.70 — —
SCHEMBL2833636 0.69 SMN1; SMN2 (0.37) ALDH1A1TSHR
SCHEMBL2830345 0.69 THRB (0.31) —
SCHEMBL4338211 0.69 USP2 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2833233 0.68 SMN1; SMN2 (0.36) ALDH1A1TSHR

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-102164916-A Sulfonyl compounds that selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT 2011-08-24 — — CN disclosed
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