SCHEMBL9115014

SCHEMBL9115014

O=C(c1cc(F)ccc1F)c1cnoc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
EPHX2 P34913 1/20 0.35
CHRNA7 P36544 1/20 0.35
CRACR2A Q9BSW2 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.34
PDE2A O00408 1/20 0.34
POLB P06746 1/20 0.34
GRM2 Q14416 2/20 0.33
MEN1 O00255 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL9114529 0.89 CES2 (0.44) DHODHCES2CES1HPGDALDH1A1
SCHEMBL8489371 0.84 HPGD (0.50) DHODHHPGDALDH1A1KMT2AMEN1
SCHEMBL27513121 0.83 DHODH (0.46) DHODHTAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL9116214 0.83 DHODH (0.44) DHODHEPHX2CRACR2AKMT2AP2RX7
SCHEMBL8489364 0.82 CACNA1B (0.40) DHODHEPHX2PDE2A
SCHEMBL9113188 0.81 DHODH (0.40) DHODHHPGDMAPTKMT2AGRM2
SCHEMBL9116196 0.80 DHODH (0.36) DHODHEPHX2CRACR2AALDH1A1PDE2A
SCHEMBL8491452 0.80 DHODH (0.37) DHODHEPHX2CRACR2AHPGDPDE2A
SCHEMBL8488384 0.80 MAPT (0.38) DHODHEPHX2ALDH1A1MAPT
SCHEMBL9114961 0.79 DHODH (0.37) DHODHEPHX2CRACR2AHPGDALDH1A1

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-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed