SCHEMBL7976562

SCHEMBL7976562

O=C(O)Cc1ccc2oc(C(F)(F)C(F)(F)C(F)(F)F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.46
CYP26B1 Q9NR63 1/20 0.46
GAA P10253 3/20 0.42
FFAR1 O14842 2/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RGS12 O14924 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5735947 0.76 GAA (0.55) GAAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6543615 0.72 CYP26A1 (0.53) CYP26A1CYP26B1GAAFFAR1LMNA
SCHEMBL14677235 0.72 CYP26A1 (0.50) CYP26A1CYP26B1GAAFFAR1LMNA
SCHEMBL14676451 0.71 CYP26A1 (0.50) CYP26A1CYP26B1GAAFFAR1LMNA
SCHEMBL4927828 0.69 CA12 (0.68) GAAKDM4EALDH1A1PTGS1AKR1C3
SCHEMBL14677413 0.69 CYP26A1 (0.43) CYP26A1CYP26B1GAAFFAR1LMNA
SCHEMBL14684905 0.68 CYP26A1 (0.52) CYP26A1CYP26B1GAAKDM4EBLM
SCHEMBL7979172 0.68 GAA (0.51) CYP26A1CYP26B1GAAFFAR1LMNA
SCHEMBL16422657 0.67 CA12 (0.51) FFAR1LMNAPIM1PIM2TP53
SCHEMBL7428695 0.67 CYP26A1 (0.45) CYP26A1CYP26B1GAAFFAR1LMNA

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
WO-2001090105-A1 ISOTHIAZOLES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-11-29 WO disclosed