SCHEMBL8036019

SCHEMBL8036019

CC(O)CCCC=Cc1ccc(-c2ccc(O)c(F)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.38
CYP17A1 P05093 3/20 0.37
MGLL Q99685 9/20 0.36
CYP3A4 P08684 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
FAAH O00519 2/20 0.33
CNR1 P21554 2/20 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

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
SCHEMBL8036013 1.00 HSD17B14 (0.38) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8046947 0.99 CYP17A1 (0.39) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8046953 0.99 CYP17A1 (0.39) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8036027 0.88 CYP17A1 (0.37) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8036030 0.88 CYP17A1 (0.37) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8047794 0.87 CYP17A1 (0.39) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8047797 0.87 CYP17A1 (0.39) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8047028 0.86 CYP11B1 (0.36) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8047023 0.86 CYP11B1 (0.36) HSD17B14CYP17A1MGLLCYP3A4CYP19A1
SCHEMBL8044853 0.85 JAK1 (0.35) CYP17A1MGLLCYP3A4CYP19A1CYP11B1

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