SCHEMBL16667183

SCHEMBL16667183

CCSc1c(C(=O)Nc2cc(C(F)(F)F)cnc2O)cccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 5/20 0.40
TACR1 P25103 1/20 0.39
NTRK1 P04629 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
P2RX1 P51575 1/20 0.38
P2RX7 Q99572 1/20 0.38
MTTP P55157 2/20 0.38
GLA P06280 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
SCHEMBL9952720 0.84 RXFP1 (0.43) ALDH1A1L3MBTL1RXFP1KDM4EHPGD
SCHEMBL9952069 0.84 HSD17B10 (0.50) ALDH1A1L3MBTL1RXFP1KDM4EHPGD
SCHEMBL16611866 0.80 ALDH1A1 (0.44) ALDH1A1RXFP1KDM4EHPGDMAPT
SCHEMBL1074527 0.76 P2RX1 (0.45) ALDH1A1RXFP1GSK3AGSK3BP2RX1
SCHEMBL15427240 0.75 KMT2A (0.44) ALDH1A1L3MBTL1RXFP1KDM4EHPGD
SCHEMBL16738129 0.75 ALDH1A1 (0.41) ALDH1A1RXFP1TACR1NTRK1KDM4E
SCHEMBL9952680 0.73 RXFP1 (0.49) ALDH1A1L3MBTL1RXFP1KDM4EHPGD
SCHEMBL9952288 0.72 RXFP1 (0.48) ALDH1A1L3MBTL1RXFP1KDM4EHPGD
SCHEMBL1023141 0.71 P2RX1 (0.48) RXFP1MAPTGSK3AGSK3BP2RX1
SCHEMBL9952580 0.70 RXFP1 (0.46) ALDH1A1L3MBTL1RXFP1KDM4EHPGD

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
EP-2865266-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS Sumitomo Chemical Company, Limited (JP) 2015-04-29 EP disclosed