SCHEMBL8035151

SCHEMBL8035151

CC(O)CCCC=Cc1ccc2nc(-c3ccc(O)cc3F)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.34
ESR1 P03372 9/20 0.34
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
TYR P14679 2/20 0.31
MAOB P27338 2/20 0.30
MAPT P10636 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
SCHEMBL8035146 1.00 ESR2 (0.34) ESR2ESR1FGFR1FGFR2TYR
SCHEMBL8047675 0.96 ESR2 (0.36) ESR2ESR1TYRMAOBMAPT
SCHEMBL8047669 0.96 ESR2 (0.36) ESR2ESR1TYRMAOBMAPT
SCHEMBL8053732 0.87
SCHEMBL8053724 0.87
SCHEMBL8035103 0.86 MEN1 (0.38) ESR2ESR1FGFR1FGFR2TYR
SCHEMBL8035098 0.86 MEN1 (0.38) ESR2ESR1FGFR1FGFR2TYR
SCHEMBL8052943 0.86 MAPT (0.33) ESR2ESR1MAOBMAPT
SCHEMBL8052947 0.86 MAPT (0.33) ESR2ESR1MAOBMAPT
SCHEMBL8052899 0.85 NPC1 (0.37) ESR2ESR1FGFR1FGFR2TYR

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