SCHEMBL630704

SCHEMBL630704

CC(=O)OC(C)C(=O)OOCl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7358422 0.85 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8706760 0.80 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL630817 0.77 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL13647347 0.74 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4678454 0.74 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL20086719 0.73 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12431158 0.73 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12431160 0.73 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5864497 0.73 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7065474 0.73 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452468-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-03-13 EP disclosed
EP-3452470-A1 AMIDE-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-03-13 EP disclosed
WO-2017191107-A1 AMIDE-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 WO disclosed
WO-2017191105-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 WO disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed