SCHEMBL9839710

SCHEMBL9839710

CCOC(=O)[C@@H](C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.50
MEN1 O00255 1/20 0.49
TTR P02766 1/20 0.49
PPOX P50336 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MRGPRX4 Q96LA9 5/20 0.46
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
THRB P10828 1/20 0.44
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 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
SCHEMBL1830418 1.00 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL141674 1.00 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9796536 0.91 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9796490 0.91 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9796530 0.91 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9839768 0.90 TDP1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9838509 0.90 TDP1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9838520 0.90 TDP1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11118666 0.89 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
Lactofen SCHEMBL7579656 0.88 MEN1 (0.61) FFAR1MEN1TTRPPOXKMT2A

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-5072022-A Enantiomers or racemates; preferably postemergent application BUDAPEST VEGYIMUVEK (HU) 1991-12-10 US claimed
US-5072022-A Enantiomers or racemates; preferably postemergent application BUDAPEST VEGYIMUVEK (HU) 1991-12-10 US disclosed