SCHEMBL8048773

SCHEMBL8048773

C=CCc1ccc2cc(-c3ncc(C=CCCCC(C)OCCCCC)cn3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SPHK2 Q9NRA0 3/20 0.31
SPHK1 Q9NYA1 2/20 0.31
TRPM8 Q7Z2W7 3/20 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
SCHEMBL8048767 1.00 CNR2 (0.38) CNR2CNR1MAPTKDM4ERAB9A
SCHEMBL8036773 0.91 RAB9A (0.37) CNR2CNR1MAPTKDM4ERAB9A
SCHEMBL8036777 0.91 RAB9A (0.37) CNR2CNR1MAPTKDM4ERAB9A
SCHEMBL8051848 0.90 CNR2 (0.37) CNR2CNR1MAPTKDM4ERAB9A
SCHEMBL8051845 0.90 CNR2 (0.37) CNR2CNR1MAPTKDM4ERAB9A
SCHEMBL8051446 0.89 CNR2 (0.38) CNR2CNR1MAPTGABRA1GABRB2
SCHEMBL8051449 0.89 CNR2 (0.38) CNR2CNR1MAPTGABRA1GABRB2
SCHEMBL8051570 0.88 SRC (0.38) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL8051574 0.88 SRC (0.38) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL8036637 0.88 CNR2 (0.38) CNR2CNR1MAPTKDM4EGABRA1

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