SCHEMBL8052708

SCHEMBL8052708

CC(O)CCCC=Cc1cnc(-c2ccc(-c3ccc(O)c(F)c3)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGLL Q99685 9/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
HSD17B14 Q9BPX1 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL8052704 1.00 CYP17A1 (0.38) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8034444 0.95 CYP17A1 (0.34) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8034441 0.95 CYP17A1 (0.34) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8045444 0.94 HSD17B14 (0.35) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8045442 0.94 HSD17B14 (0.35) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8045841 0.91 CYP17A1 (0.34) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8045847 0.91 CYP17A1 (0.34) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8044198 0.88 CYP17A1 (0.40) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8044200 0.88 CYP17A1 (0.40) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8047666 0.88 CYP17A1 (0.40) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2

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