SCHEMBL8048957

SCHEMBL8048957

C=CCOc1ccc(-c2ccc(/C=C/CCCC(C)OCCCCC)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PTPN11 Q06124 1/20 0.32
LTA4H P09960 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CNR2 P34972 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
SCHEMBL8047636 1.00 S1PR1 (0.32) S1PR1THRATHRBPTPN11LTA4H
SCHEMBL8228111 1.00 S1PR1 (0.32) S1PR1THRATHRBPTPN11LTA4H
SCHEMBL8048964 1.00 S1PR1 (0.32) S1PR1THRATHRBPTPN11LTA4H
SCHEMBL8047819 0.93 THRA (0.30) THRATHRBLTA4H
SCHEMBL8047823 0.93 THRA (0.30) THRATHRBLTA4H
SCHEMBL8051567 0.92 THRA (0.31) S1PR1THRATHRBLTA4H
SCHEMBL8047006 0.92 AAK1 (0.32) S1PR1AAK1
SCHEMBL8051563 0.92 THRA (0.31) S1PR1THRATHRBLTA4H
SCHEMBL8047001 0.92 AAK1 (0.32) S1PR1AAK1
SCHEMBL8051309 0.92 THRA (0.31) S1PR1THRATHRBAAK1

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