SCHEMBL7769751

SCHEMBL7769751

BrCC[C@H]1CC[C@H](CCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CTSC P53634 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL7769750 1.00 TDP1 (0.52) TDP1MAOAMAOBCARM1PRMT6
SCHEMBL1609623 0.89 MAOA (0.58) MAOAMAOBCARM1PRMT6CTSL
SCHEMBL705394 0.81 CTSS (0.56) MAOAMAOBCTSSCTSKOPRM1
SCHEMBL7756938 0.81 OPRM1 (0.58) MAOAMAOBCTSSCTSKOPRM1
SCHEMBL240002 0.80 MAOA (0.50) MAOAMAOBCARM1PRMT6CTSL
SCHEMBL19188155 0.80 MAOA (0.50) MAOAMAOBCARM1PRMT6CTSL
SCHEMBL10455153 0.80 MAOA (0.50) MAOAMAOBCARM1PRMT6CTSL
SCHEMBL16499615 0.80 MAOA (0.50) TDP1MAOAMAOBCARM1PRMT6
SCHEMBL9163690 0.80 CARM1 (0.51) MAOAMAOBCARM1PRMT6
SCHEMBL16499700 0.80 MAOA (0.50) TDP1MAOAMAOBCARM1PRMT6

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-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
EP-0727428-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-21 EP disclosed