SCHEMBL8049252

SCHEMBL8049252

C=CCc1ccc(-c2ccc(-c3cnc(C=CCCCC(C)OCCCCC)nc3)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.38
RARB P10826 1/20 0.35
GABRA1 P14867 6/20 0.33
GABRB2 P47870 6/20 0.33
ALOX5 P09917 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
TRPM8 Q7Z2W7 3/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL8049246 1.00 CNR2 (0.40) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8048579 0.96 CNR2 (0.38) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8048585 0.96 CNR2 (0.38) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8047595 0.92 CNR2 (0.38) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8047589 0.92 CNR2 (0.38) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8054215 0.91 CNR2 (0.38) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8054211 0.91 CNR2 (0.38) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8054091 0.91 CNR2 (0.39) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8054095 0.91 CNR2 (0.39) CNR2CNR1RARBGABRA1GABRB2
SCHEMBL8048094 0.90 CNR2 (0.39) CNR2CNR1RARBGABRA1GABRB2

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