SCHEMBL11258766

SCHEMBL11258766

CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.59
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TTR P02766 1/20 0.49
PPOX P50336 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
FPR2 P25090 2/20 0.48
SCN9A Q15858 2/20 0.48
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10644341 0.91 FFAR1 (0.52) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL11442078 0.90 FFAR1 (0.53) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10856612 0.89 FFAR1 (0.60) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9420232 0.89 FFAR1 (0.67) FFAR1MEN1KMT2ATTRPPOX
Hydrochloric Acid SCHEMBL10942896 0.88 FFAR1 (0.65) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10947565 0.87 FFAR1 (0.56) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10966962 0.87 FFAR1 (0.58) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL732095 0.87 FFAR1 (0.58) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL11435443 0.87 FFAR1 (0.50) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10877491 0.85 FFAR1 (0.51) FFAR1MEN1KMT2ATTRPPOX

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
US-4335249-A PREEMERGENCE AND POSTEMERGENCE ROHM AND HAAS COMPANY (US) 1982-06-15 US disclosed