SCHEMBL8046433

SCHEMBL8046433

C=CCc1ccc2cc(-c3ccc(C=CCCCC(C)O)c(F)c3)ncc2c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
MET P08581 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 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
SCHEMBL8046429 1.00 NPC1 (0.31) NPC1CASP3RAB9ASENP7MET
SCHEMBL8048175 0.89 ALOX5 (0.33) PDE3BPDE3AP2RY12
SCHEMBL8048169 0.89 ALOX5 (0.33) PDE3BPDE3AP2RY12
SCHEMBL8046069 0.88 MAPT (0.34)
SCHEMBL8046073 0.88 MAPT (0.34)
SCHEMBL8047737 0.88 NPC1 (0.36) NPC1CASP3RAB9ASENP7
SCHEMBL8047733 0.88 NPC1 (0.36) NPC1CASP3RAB9ASENP7
SCHEMBL8048455 0.88 PDE3B (0.36) NPC1CASP3RAB9ASENP7PDE3B
SCHEMBL8048458 0.88 PDE3B (0.36) NPC1CASP3RAB9ASENP7PDE3B
SCHEMBL8046606 0.86 ESR1 (0.31) MET

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