SCHEMBL9548632

SCHEMBL9548632

Cc1cn([C@H]2CC(F)[C@@](C)(CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 8/20 0.52
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
ALB P02768 1/20 0.47
PKM P14618 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL9548636 1.00 TK1 (0.52) TK1LMNATSHRALBPKM
SCHEMBL26269344 0.89 TK1 (0.49) TK1ALBPKM
SCHEMBL25180809 0.87 TK1 (0.51) TK1LMNATSHRALBPKM
SCHEMBL25180810 0.87 TK1 (0.51) TK1LMNATSHRALBPKM
SCHEMBL25180333 0.87 TK1 (0.51) TK1LMNATSHRALBPKM
SCHEMBL3437022 0.86 TK1 (0.56) TK1LMNAALBBLM
SCHEMBL31653059 0.86 TK1 (0.56) TK1LMNAALBBLM
SCHEMBL3437019 0.86 TK1 (0.56) TK1LMNAALBBLM
SCHEMBL25401878 0.84 TK1 (0.48) TK1LMNATSHRALBPKM
SCHEMBL9148984 0.84 TK1 (0.50) TK1LMNAALBPKMBLM

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed