SCHEMBL8054130

SCHEMBL8054130

C=CCc1ccc2nc(C=CCCCC(C)OCCCCC)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.39
CNR2 P34972 2/20 0.34
TRPM8 Q7Z2W7 3/20 0.33
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 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
SCHEMBL8054127 1.00 LTB4R (0.39) LTB4RCNR2TRPM8CNR1KDM4E
SCHEMBL8054213 0.87 CNR2 (0.35) LTB4RCNR2TRPM8CNR1KDM4E
SCHEMBL8054217 0.87 CNR2 (0.35) LTB4RCNR2TRPM8CNR1KDM4E
SCHEMBL8047999 0.86 CNR2 (0.36) LTB4RCNR2TRPM8CNR1KDM4E
SCHEMBL8047993 0.86 CNR2 (0.36) LTB4RCNR2TRPM8CNR1KDM4E
SCHEMBL8054164 0.86 CNR2 (0.36) CNR2TRPM8CNR1KDM4EMEN1
SCHEMBL8054166 0.86 CNR2 (0.36) CNR2TRPM8CNR1KDM4EMEN1
SCHEMBL8051466 0.86 LTB4R (0.40) LTB4RKDM4EMEN1NPC1MAPT
SCHEMBL8051469 0.86 LTB4R (0.40) LTB4RKDM4EMEN1NPC1MAPT
SCHEMBL8049557 0.86 CNR2 (0.35) CNR2TRPM8CNR1KDM4ENPC1

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