SCHEMBL8049503

SCHEMBL8049503

C=CCc1ccc2cc(-c3ccc(C=CCCCC(C)OCCCCC)cc3)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
CASP3 P42574 3/20 0.35
SENP7 Q9BQF6 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
CNR1 P21554 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TNNC1 P63316 1/20 0.31
MITF O75030 1/20 0.31
KLF5 Q13887 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL8049502 1.00 CNR2 (0.36) CNR2RAB9ANPC1CASP3SENP7
SCHEMBL8046246 0.95 CNR2 (0.34) CNR2RAB9ANPC1CASP3SENP7
SCHEMBL8046252 0.95 CNR2 (0.34) CNR2RAB9ANPC1CASP3SENP7
SCHEMBL8051845 0.91 CNR2 (0.37) CNR2RAB9ANPC1CASP3SENP7
SCHEMBL8051848 0.91 CNR2 (0.37) CNR2RAB9ANPC1CASP3SENP7
SCHEMBL8048991 0.89 NPC1 (0.36) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8048978 0.89 NPC1 (0.36) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8048586 0.89 RAB9A (0.39) CNR2RAB9ANPC1CASP3SENP7
SCHEMBL8048589 0.89 RAB9A (0.39) CNR2RAB9ANPC1CASP3SENP7
SCHEMBL8051446 0.89 CNR2 (0.38) CNR2CNR1MAPTGABRA1GABRB2

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