SCHEMBL8047786

SCHEMBL8047786

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.32
TNNC1 P63316 1/20 0.31
CYP2D6 P10635 1/20 0.31
AHR P35869 1/20 0.31
PTPN11 Q06124 1/20 0.31
RARB P10826 3/20 0.31
PLA2G2A P14555 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL8047789 1.00 NPC1 (0.34) NPC1TP53RAB9AABCG2TNNC1
SCHEMBL8051198 0.93 CYP2D6 (0.31) CYP2D6PTPN11RARBPLA2G2A
SCHEMBL8051203 0.93 CYP2D6 (0.31) CYP2D6PTPN11RARBPLA2G2A
SCHEMBL8048643 0.92 RARB (0.33) NPC1TP53RAB9AABCG2TNNC1
SCHEMBL8048644 0.92 RARB (0.33) NPC1TP53RAB9AABCG2TNNC1
SCHEMBL8036560 0.92 RARB (0.33) NPC1TP53RAB9AABCG2TNNC1
SCHEMBL8036565 0.92 RARB (0.33) NPC1TP53RAB9AABCG2TNNC1
SCHEMBL8046616 0.92 RARB (0.32) CYP2D6PTPN11RARBPLA2G2A
SCHEMBL8046619 0.92 RARB (0.32) CYP2D6PTPN11RARBPLA2G2A
SCHEMBL8054664 0.92 RARB (0.33) NPC1TP53RAB9AAHRPTPN11

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