SCHEMBL8563774

SCHEMBL8563774

CCOc1cc(C(F)(F)F)c[c]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLQ O75417 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
NOS3 P29474 1/20 0.31

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
SCHEMBL8568484 0.84 ALDH1A1 (0.35) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL8563824 0.80 MAPT (0.33) MAPK1CYP1A2LMNAMAPTSMN1; SMN2
SCHEMBL3149643 0.75 NOS3 (0.48) MAPK1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL9479438 0.74 NQO1 (0.39) MAPK1HPGDMAPTALDH1A1TDP1
SCHEMBL9479807 0.73 GABRA1 (0.36) HPGDLMNASMN1; SMN2
SCHEMBL16579729 0.70 POLQ (0.52) MAPK1HPGDCYP1A2CYP2C19NPSR1
SCHEMBL1515052 0.70 NOS3 (0.32) NOS3NOS2
SCHEMBL9682560 0.69 L3MBTL1 (0.43) MAPK1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL9481160 0.69 GABRG2 (0.40) HPGDLMNAMAPTALDH1A1MEN1
SCHEMBL2186389 0.67 NOS3 (0.33) NOS3NOS2

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
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP claimed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US claimed