SCHEMBL8046616

SCHEMBL8046616

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)c(F)c3F)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.32
CYP2D6 P10635 1/20 0.31
PTPN11 Q06124 1/20 0.31
PLA2G2A P14555 2/20 0.30
PTPN1 P18031 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
SCHEMBL8046619 1.00 RARB (0.32) RARBCYP2D6PTPN11PLA2G2APTPN1
SCHEMBL8051198 0.99 CYP2D6 (0.31) RARBCYP2D6PTPN11PLA2G2APTPN1
SCHEMBL8051203 0.99 CYP2D6 (0.31) RARBCYP2D6PTPN11PLA2G2APTPN1
SCHEMBL8049095 0.92 SRC (0.35) PTPN11
SCHEMBL8049099 0.92 SRC (0.35) PTPN11
SCHEMBL8047786 0.92 NPC1 (0.34) RARBCYP2D6PTPN11PLA2G2A
SCHEMBL8047789 0.92 NPC1 (0.34) RARBCYP2D6PTPN11PLA2G2A
SCHEMBL8036721 0.92 KDM4E (0.33) CYP2D6
SCHEMBL8036718 0.92 KDM4E (0.33) CYP2D6
SCHEMBL8045947 0.92 NPC1 (0.32) RARB

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