SCHEMBL9114740

SCHEMBL9114740

COc1c(C)ccc(C(=O)c2cnoc2C2CC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PDE2A O00408 1/20 0.35
EPHX2 P34913 2/20 0.33
CRACR2A Q9BSW2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TTR P02766 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9116703 0.88 STAT1 (0.36) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL9070501 0.86 TUBB4A (0.36) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL9069458 0.85 DHODH (0.33) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL9116735 0.83 ALDH1A1 (0.36) DHODHMEN1KMT2ATTRLMNA
SCHEMBL9114663 0.81 MEN1 (0.36) DHODHPDE2AMEN1KMT2ATTR
SCHEMBL9116932 0.80 DHODH (0.35) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL8491895 0.80 STAT1 (0.36) DHODHPDE2AEPHX2CRACR2AMEN1
SCHEMBL8493697 0.80 DHODH (0.35) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL9115729 0.79 DHODH (0.38) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL27513121 0.78 DHODH (0.46) DHODHTAS1R3TAS1R1TAS1R2PDE2A

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-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed