SCHEMBL8046907

SCHEMBL8046907

CC(O)CCCC=Cc1ncc2cc(-c3ccc(O)cc3F)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.40
ESR1 P03372 7/20 0.40
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
JAK1 P23458 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
USP7 Q93009 1/20 0.33
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
DHODH Q02127 1/20 0.32
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL8046902 1.00 ESR2 (0.40) ESR2ESR1FGFR1FGFR2JAK1
SCHEMBL8049882 0.87 PDE3B (0.38) ESR2ESR1JAK1PDE3BPDE3A
SCHEMBL8049887 0.87 PDE3B (0.38) ESR2ESR1JAK1PDE3BPDE3A
SCHEMBL8052807 0.87 PDE3B (0.38) PDE3BPDE3AP2RY12
SCHEMBL8052810 0.87 PDE3B (0.38) PDE3BPDE3AP2RY12
SCHEMBL8049556 0.86 PDE3B (0.34) ESR2ESR1JAK1PDE3BPDE3A
SCHEMBL8049562 0.86 PDE3B (0.34) ESR2ESR1JAK1PDE3BPDE3A
SCHEMBL8045940 0.86 ALOX5 (0.33) AKR1C3AKR1C2PDE3BPDE3AP2RY12
SCHEMBL8045936 0.86 ALOX5 (0.33) AKR1C3AKR1C2PDE3BPDE3AP2RY12
SCHEMBL8052361 0.86 ALOX5AP (0.36) ESR2ESR1FGFR1FGFR2HSD17B1

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