SCHEMBL9355136

SCHEMBL9355136

CCCc1ccc(CCBr)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX5 P09917 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SKP2 Q13309 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 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
SCHEMBL10831863 0.83 THRA (0.51) S1PR1ALOX5LMNAMAPTHIF1A
SCHEMBL7460854 0.82 CNR1 (0.39) CNR1CNR2ALOX5HIF1ATDP1
SCHEMBL7654059 0.82 TAAR1 (0.40) S1PR1CNR1CNR2ALOX5LMNA
SCHEMBL11715568 0.79 SKP2 (0.46) CNR1CNR2ALOX5HIF1ATDP1
SCHEMBL16952436 0.79 CYP4F2 (0.41) S1PR1CNR1CNR2ALOX5LMNA
SCHEMBL27930482 0.79 TDP1 (0.35) S1PR1ALOX5MAPTTDP1BCHE
SCHEMBL15495007 0.79 CNR1 (0.44) S1PR1CNR1CNR2ALOX5LMNA
SCHEMBL9664336 0.76 ALOX5 (0.41) CNR1CNR2ALOX5MAPTHTR2A
SCHEMBL18097875 0.76 HTR2A (0.32) S1PR1HTR2AHTR2C
SCHEMBL12413796 0.76 GABRA1 (0.44) S1PR1LMNAMAPTXBP1HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410756-B1 Cyclohexenylethane compounds CHISSO CORP (JP) 1994-09-14 EP disclosed
US-5064565-A Liquid crystals CHISSO CORPORATION (JP) 1991-11-12 US disclosed
EP-0410756-A1 Cyclohexenylethane compounds Chisso Corporation (JP) 1991-01-30 EP disclosed