SCHEMBL8047405

SCHEMBL8047405

C=CCOc1ccc2nc(/C=C/CCCC(C)OCCCCC)cnc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.34
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CASR P41180 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
SCHEMBL8047410 1.00 LTB4R (0.34) LTB4RCA12CA1CA9SRC
SCHEMBL8049018 0.93 KDM4E (0.33) LTB4RSRCABL1CHRNB2CHRNB4
SCHEMBL8049023 0.93 KDM4E (0.33) LTB4RSRCABL1CHRNB2CHRNB4
SCHEMBL8053987 0.90 HMOX1 (0.31) SRCABL1
SCHEMBL8053985 0.90 HMOX1 (0.31) SRCABL1
SCHEMBL8051466 0.89 LTB4R (0.40) LTB4RCA12CA1CA9SRC
SCHEMBL8051469 0.89 LTB4R (0.40) LTB4RCA12CA1CA9SRC
SCHEMBL8046463 0.87 CA12 (0.35) LTB4RCA12CA1CA9SRC
SCHEMBL8046468 0.87 CA12 (0.35) LTB4RCA12CA1CA9SRC
SCHEMBL8048929 0.86 APP (0.33) SMN1; SMN2

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