SCHEMBL8053980

SCHEMBL8053980

C=CCOc1ccc(-c2ncc(/C=C/CCCC(C)OCCCCC)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 3/20 0.37
RARB P10826 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LTA4H P09960 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL8053983 1.00 RAB9A (0.43) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8233449 0.96 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8233453 0.96 RAB9A (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046466 0.94 NPC1 (0.40) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046470 0.94 NPC1 (0.40) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051346 0.93 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051342 0.93 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051574 0.93 SRC (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8051570 0.93 SRC (0.38) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8046982 0.92 RAB9A (0.37) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed