SCHEMBL23601101

SCHEMBL23601101

CCc1c(C)c(F)c(F)c(C(=O)O)c1S

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.34
TAS1R1 Q7RTX1 9/20 0.34
TAS1R2 Q8TE23 9/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
METAP2 P50579 1/20 0.31
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL23601099 0.79 MEN1 (0.40) TAS1R3TAS1R1TAS1R2SMN1; SMN2PKM
SCHEMBL10981379 0.74 SMN1; SMN2 (0.39) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL29926635 0.72 SMN1; SMN2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL7862999 0.72 SMN1; SMN2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL2011531 0.71 MEN1 (0.46) TAS1R3TAS1R1TAS1R2SMN1; SMN2PKM
SCHEMBL503607 0.71 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2SMN1; SMN2MEN1
SCHEMBL11936748 0.71 SMN1; SMN2 (0.41) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL23609662 0.70 HCAR2 (0.38) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL23601121 0.69 MEN1 (0.36) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL2470702 0.69 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2SMN1; SMN2MEN1

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-2021131845-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING PATTERN JSR株式会社 2021-07-01 WO disclosed