SCHEMBL21137741

SCHEMBL21137741

COC(=O)C(C(=O)OC)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
MAPK1 P28482 1/20 0.46
CETP P11597 3/20 0.41
ACP1 P24666 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.38
GPR35 Q9HC97 1/20 0.37
TACR1 P25103 2/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
MAPT P10636 1/20 0.35
CFTR P13569 1/20 0.35

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
SCHEMBL7758695 0.89 MAPK1 (0.51) NOTUMMAPK1CETPGPR35TACR1
SCHEMBL21061047 0.88 NOTUM (0.50) NOTUMMAPK1CETPACP1GPR35
SCHEMBL28406891 0.83 MAPK1 (0.47) NOTUMMAPK1CETPGPR35TACR1
SCHEMBL21137742 0.80 NOTUM (0.46) NOTUMACP1TAS2R14GPR35TACR1
SCHEMBL21061045 0.79 TAS2R14 (0.45) NOTUMTAS2R14TACR1
SCHEMBL21061048 0.78 NOTUM (0.44) NOTUMACP1TAS2R14GPR35TACR1
SCHEMBL15018577 0.76 CES2 (0.51) MAPK1ALDH1A1MAPT
SCHEMBL30368489 0.76 CES2 (0.51) MAPK1ALDH1A1MAPT
SCHEMBL24037032 0.76 NOTUM (0.50) NOTUMCETPACP1TAS2R14GPR35
SCHEMBL25677270 0.76 NOTUM (0.74) NOTUMCETPACP1TAS2R14ALDH1A1

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
WO-2019115404-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-20 WO disclosed