SCHEMBL6971672

SCHEMBL6971672

[O]C(=O)C(c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
CES1 P23141 3/20 0.40
CES2 O00748 2/20 0.40
TACR1 P25103 2/20 0.39
PDPK1 O15530 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACP3 P15309 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL7955519 0.84 SRC (0.50) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL28044484 0.84 CYP2D6 (0.44) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL4026079 0.84 SRC (0.50) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL195532 0.84 SRC (0.50) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL29773675 0.83 SRC (0.48) CYP2D6SRCL3MBTL1ATMLMNA
Hydrochloric Acid SCHEMBL2529822 0.83 SRC (0.48) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL1483540 0.83 EPHX1 (0.46) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL10629217 0.81 CES1 (0.43) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL3649658 0.81 CYP2D6 (0.41) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL8671904 0.81 ATM (0.44) CYP2D6SRCL3MBTL1ATMLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed