SCHEMBL11220951

SCHEMBL11220951

CC(=O)O[C@H]([C@H](C=S)OC(C)=O)[C@H](CO)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ALOX15 P16050 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
SCHEMBL4650323 1.00 TDP1 (0.42) TDP1TSHRTRPV1ALOX15
SCHEMBL11209290 1.00 TDP1 (0.42) TDP1TSHRTRPV1ALOX15
SCHEMBL4650320 1.00 TDP1 (0.42) TDP1TSHRTRPV1ALOX15
SCHEMBL11210335 1.00 TDP1 (0.42) TDP1TSHRTRPV1ALOX15
SCHEMBL4651365 0.95 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL4650236 0.95 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL4650331 0.95 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL4652382 0.95 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL4650284 0.95 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL10510191 0.84 TDP1 (0.43) TDP1TSHRTRPV1ALOX15

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-0002588-B1 PLEUROMUTILIN GLYCOSIDE DERIVATIVES, FORMULATIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION ELI LILLY AND COMPANY (US) 1983-04-06 EP disclosed
EP-0002588-A1 Pleuromutilin glycoside derivatives, formulations containing them and processes for their preparation ELI LILLY AND COMPANY (US) 1979-06-27 EP disclosed
US-4130709-A BACTERICIDE ELI LILLY AND COMPANY (US) 1978-12-19 US disclosed