SCHEMBL8034441

SCHEMBL8034441

CC(O)CCC/C=C/c1cnc(-c2ccc(O)c(F)c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.34
MGLL Q99685 6/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP19A1 P11511 2/20 0.33
HSD17B14 Q9BPX1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 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
SCHEMBL8034444 1.00 CYP17A1 (0.34) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8052704 0.95 CYP17A1 (0.38) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8052708 0.95 CYP17A1 (0.38) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8045847 0.93 CYP17A1 (0.34) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8045841 0.93 CYP17A1 (0.34) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8045444 0.91 HSD17B14 (0.35) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8045442 0.91 HSD17B14 (0.35) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8046104 0.86 CYP11B1 (0.40) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8046110 0.86 CYP11B1 (0.40) CYP17A1MGLLCYP11B1CYP11B2CYP3A4
SCHEMBL8044200 0.85 CYP17A1 (0.40) CYP17A1MGLLCYP11B1CYP11B2CYP3A4

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