SCHEMBL9603346

SCHEMBL9603346

CC(C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ AGTR2 P50052 5/20 0.32
▸ BTK Q06187 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9603348 1.00 ATM (0.40) ATMAGTR2BTKLMNACYP2C19
SCHEMBL9603350 1.00 ATM (0.40) ATMAGTR2BTKLMNACYP2C19
SCHEMBL30536040 0.85 HSD17B10 (0.41) ATMBTKCYP2C19HSD17B10
SCHEMBL29015380 0.85 HSD17B10 (0.41) ATMBTKCYP2C19HSD17B10
SCHEMBL7298158 0.85 HSD17B10 (0.41) ATMBTKCYP2C19HSD17B10
SCHEMBL29015384 0.85 HSD17B10 (0.41) ATMBTKCYP2C19HSD17B10
SCHEMBL18577435 0.85 HSD17B10 (0.41) ATMBTKCYP2C19HSD17B10
SCHEMBL9603285 0.83 ALDH1A1 (0.31) —
SCHEMBL9603286 0.83 ALDH1A1 (0.31) —
SCHEMBL9603282 0.83 ALDH1A1 (0.31) —

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
WO-1993001174-A1 THIAZOLIDINE DERIVATIVES AND THEIR USE AS ANTI-VIRAL COMPOUNDS GLAXO GROUP LIMITED (GB) 1993-01-21 — — WO disclosed
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