SCHEMBL8046491

SCHEMBL8046491

C=CCOc1ccc(-c2ncc(/C=C/CCCC(C)OCCCCC)cn2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
LTA4H P09960 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
LSS P48449 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL8046496 1.00 THRA (0.32) THRATHRBLTA4HS1PR4S1PR1
SCHEMBL8036571 0.97 THRA (0.32) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL8036563 0.97 THRA (0.32) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL8051567 0.95 THRA (0.31) THRATHRBLTA4HS1PR4S1PR1
SCHEMBL8051563 0.95 THRA (0.31) THRATHRBLTA4HS1PR4S1PR1
SCHEMBL8051305 0.93 THRA (0.31) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL8051309 0.93 THRA (0.31) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL8228111 0.90 S1PR1 (0.32) THRATHRBLTA4HS1PR1AAK1
SCHEMBL8047636 0.90 S1PR1 (0.32) THRATHRBLTA4HS1PR1AAK1
SCHEMBL8048964 0.90 S1PR1 (0.32) THRATHRBLTA4HS1PR1AAK1

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