SCHEMBL8451636

SCHEMBL8451636

CCCc1ccc(CCC2CCC(CCc3ccc(I)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
MAOA P21397 1/20 0.53
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CA2 P00918 1/20 0.35

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
SCHEMBL8451631 1.00 MAOB (0.53) MAOBMAOALPLLIPGGPR84
SCHEMBL11996427 0.93 MAOB (0.45) MAOBMAOAGPR84CARM1PRMT6
SCHEMBL7913625 0.93 MAOB (0.45) MAOBMAOAGPR84CARM1PRMT6
SCHEMBL8452851 0.91 MAOA (0.46) MAOBMAOA
SCHEMBL8452856 0.91 MAOA (0.46) MAOBMAOA
SCHEMBL27960942 0.88 MAOA (0.42) MAOBMAOA
SCHEMBL27960940 0.88 MAOA (0.42) MAOBMAOA
SCHEMBL11058086 0.86 MAOB (0.57) MAOBMAOALPLLIPGGPR84
SCHEMBL11058080 0.86 MAOB (0.57) MAOBMAOALPLLIPGGPR84
SCHEMBL10715861 0.84 MAOB (0.51) MAOBMAOALPLLIPGGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed