SCHEMBL8600400

SCHEMBL8600400

C=CCOc1ccc(-c2ccc(CCCCCC(C)F)nn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.38
HTR2A P28223 9/20 0.38
CHRM1 P11229 6/20 0.38
CYP2D6 P10635 1/20 0.34
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
DCTPP1 Q9H773 1/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33
SIRT1 Q96EB6 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL7554341 0.90 MAPT (0.39) MCHR1HTR2ACHRM1CYP2D6RAB9A
SCHEMBL7554450 0.84 MAPT (0.34) CYP2D6RAB9AMAPTALDH1A1NPC1
SCHEMBL7554171 0.84 CYP2D6 (0.35) MCHR1CYP2D6RAB9AMAPTALDH1A1
SCHEMBL7558955 0.83 MAPT (0.33) CYP2D6RAB9AMAPTALDH1A1KDM4E
SCHEMBL8601900 0.83 MCHR1 (0.38) MCHR1HTR2ACHRM1RAB9AMAPT
SCHEMBL7559142 0.82 RAB9A (0.52) CYP2D6RAB9AMAPTALDH1A1NPC1
SCHEMBL7943922 0.81 RAB9A (0.51) CYP2D6RAB9AMAPTALDH1A1NPC1
SCHEMBL9282906 0.81 MEN1 (0.37) ALDH1A1KDM4E
SCHEMBL7555471 0.81 MAPT (0.42) CYP2D6RAB9AMAPTALDH1A1NPC1
SCHEMBL7556786 0.81 RAB9A (0.45) CYP2D6RAB9AMAPTALDH1A1NPC1

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-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed