SCHEMBL10967310

SCHEMBL10967310

COC(=O)[C@](C)(CS)NC=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
DGAT1 O75907 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11168415 1.00 PKM (0.40) PKMDGAT1TSHRHSD17B10
SCHEMBL24471392 0.80 PKM (0.40) PKMDGAT1
SCHEMBL15827293 0.75 TSHR (0.36) DGAT1TSHRHSD17B10
SCHEMBL10355716 0.72 PKM (0.41) PKMDGAT1
SCHEMBL11322351 0.71 TSHR (0.45) TSHR
SCHEMBL2871889 0.71 TSHR (0.43) DGAT1TSHRHSD17B10
SCHEMBL11328322 0.71 TSHR (0.45) TSHR
SCHEMBL11320019 0.70 EPHX2 (0.38) TSHRHSD17B10
SCHEMBL11320026 0.70 EPHX2 (0.38) TSHRHSD17B10
SCHEMBL27500342 0.70 ESR1 (0.44) TSHRHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045281-B1 TRIAZOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CIBA-GEIGY AG (CH) 1985-05-08 EP disclosed
US-4406905-A COMPLEXING, ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1983-09-27 US disclosed
EP-0045281-A1 Triazoline derivatives and processes for their preparation CIBA-GEIGY AG (CH) 1982-02-03 EP disclosed