SCHEMBL11265453

SCHEMBL11265453

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.56
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SCN9A Q15858 3/20 0.44
ALDH1A1 P00352 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10644584 0.92 FFAR1 (0.50) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL11098082 0.86 FFAR1 (0.47) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL11447814 0.85 FFAR1 (0.46) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10967862 0.85 FFAR1 (0.55) FFAR1MEN1KMT2AALDH1A1MRGPRX4
SCHEMBL10963334 0.84 FFAR1 (0.58) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9657396 0.84 FFAR1 (0.49) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9420232 0.84 FFAR1 (0.67) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10856612 0.84 FFAR1 (0.60) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL11258766 0.83 FFAR1 (0.59) FFAR1MEN1KMT2ATTRPPOX
Hydrochloric Acid SCHEMBL10942896 0.83 FFAR1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4070178-A Herbicidal diphenyl ethers ROHM AND HAAS COMPANY (US) 1978-01-24 US disclosed