SCHEMBL10404178

SCHEMBL10404178

CCSCC([C]=O)OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL10402061 0.85 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6384348 0.77
SCHEMBL6379373 0.74 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6384305 0.72 ALDH1A1 (0.40) TSHR
SCHEMBL6382808 0.71 GPR84 (0.44)
SCHEMBL4952696 0.71 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10525917 0.69 TDP1 (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10404331 0.69 MTNR1A (0.49) TSHR
SCHEMBL10404182 0.69 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7575626 0.69 TSHR (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed