SCHEMBL13447235

SCHEMBL13447235

Cc1c(C)c(F)c(C(=O)O)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.41
TAS1R1 Q7RTX1 11/20 0.41
TAS1R2 Q8TE23 11/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2860749 0.92 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL503607 0.92 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL19130691 0.92 MEN1 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL27805263 0.90 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL7074989 0.90 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2470702 0.90 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
Hydrochloric Acid SCHEMBL6740806 0.90 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL545012 0.86 HCAR2 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2921028 0.86 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6578763 0.86 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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
EP-1385870-B1 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2010-03-17 EP disclosed