SCHEMBL8045668

SCHEMBL8045668

CC(O)CCC/C=C/c1cnc2cc(-c3ccc(O)cc3F)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.38
ESR2 Q92731 7/20 0.38
ESR1 P03372 6/20 0.38
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
USP7 Q93009 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
DHODH Q02127 1/20 0.32
ALOX5AP P20292 4/20 0.31
FEN1 P39748 4/20 0.31
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
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
SCHEMBL8045671 1.00 JAK1 (0.38) JAK1ESR2ESR1FGFR1FGFR2
SCHEMBL8049328 0.87 ESR1 (0.32) ESR2ESR1PDE3BPDE3AP2RY12
SCHEMBL8049325 0.87 ESR1 (0.32) ESR2ESR1PDE3BPDE3AP2RY12
SCHEMBL8047065 0.87 ESR2 (0.34) JAK1ESR2PDE3BPDE3AP2RY12
SCHEMBL8047073 0.87 ESR2 (0.34) JAK1ESR2PDE3BPDE3AP2RY12
SCHEMBL8035643 0.87 LTB4R (0.35) ESR2PDE3BPDE3AP2RY12
SCHEMBL8035639 0.87 LTB4R (0.35) ESR2PDE3BPDE3AP2RY12
SCHEMBL8048392 0.86 ALOX5 (0.33)
SCHEMBL8048395 0.86 ALOX5 (0.33)
SCHEMBL8049581 0.86 ESR1 (0.38) JAK1ESR2ESR1FGFR1FGFR2

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