SCHEMBL8047993

SCHEMBL8047993

C=CCc1ccc2cc(/C=C/CCCC(C)OCCCCC)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPM8 Q7Z2W7 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARA Q07869 1/20 0.32
BDKRB2 P30411 1/20 0.32
LTB4R Q15722 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
SCHEMBL8047999 1.00 CNR2 (0.36) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL8036637 0.91 CNR2 (0.38) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL8036644 0.91 CNR2 (0.38) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL8054164 0.88 CNR2 (0.36) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL8054166 0.88 CNR2 (0.36) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL8046463 0.87 CA12 (0.35) LTB4R
SCHEMBL8046468 0.87 CA12 (0.35) LTB4R
SCHEMBL8049502 0.87 CNR2 (0.36) CNR2CNR1MAPTALDH1A1TRPM8
SCHEMBL8049503 0.87 CNR2 (0.36) CNR2CNR1MAPTALDH1A1TRPM8
SCHEMBL8054127 0.86 LTB4R (0.39) CNR2CNR1MAPTMEN1KMT2A

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