SCHEMBL8235183

SCHEMBL8235183

C=CCOc1ccc(-c2ncc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)cn2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 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
SCHEMBL8235189 1.00 PTPN11 (0.31) PTPN11S1PR1S1PR3
SCHEMBL8036728 0.95 KDM4E (0.31)
SCHEMBL8036732 0.95 KDM4E (0.31)
SCHEMBL8051403 0.94 NPC1 (0.34) PTPN11S1PR1S1PR3
SCHEMBL8051407 0.94 NPC1 (0.34) PTPN11S1PR1S1PR3
SCHEMBL8231766 0.94 MEN1 (0.30)
SCHEMBL8231770 0.94 MEN1 (0.30)
SCHEMBL8036890 0.93 S1PR1 (0.35) PTPN11S1PR1S1PR3
SCHEMBL8036893 0.93 S1PR1 (0.35) PTPN11S1PR1S1PR3
SCHEMBL8046121 0.92 S1PR1 (0.35) PTPN11S1PR1S1PR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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