SCHEMBL8049424

SCHEMBL8049424

CC(O)CCC/C=C/c1ncc2cc(-c3ccc(O)c(F)c3)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
ESR2 Q92731 14/20 0.35
ESR1 P03372 13/20 0.35
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
JAK1 P23458 1/20 0.33
CYP17A1 P05093 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33

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
SCHEMBL8049430 1.00 PDE3B (0.35) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8049882 0.87 PDE3B (0.38) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8049887 0.87 PDE3B (0.38) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8049562 0.87 PDE3B (0.34) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8049556 0.87 PDE3B (0.34) PDE3BPDE3AP2RY12ESR2ESR1
SCHEMBL8036027 0.87 CYP17A1 (0.37) ESR2ESR1FGFR1FGFR2CYP17A1
SCHEMBL8036030 0.87 CYP17A1 (0.37) ESR2ESR1FGFR1FGFR2CYP17A1
SCHEMBL8047797 0.86 CYP17A1 (0.39) ESR2ESR1FGFR1FGFR2CYP17A1
SCHEMBL8047794 0.86 CYP17A1 (0.39) ESR2ESR1FGFR1FGFR2CYP17A1
SCHEMBL8036314 0.85 PDE3B (0.33) PDE3BPDE3AP2RY12ESR2ESR1

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 3 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