SCHEMBL8049486

SCHEMBL8049486

CC(O)CCCC=Cc1cnc(-c2ccc3cc(O)ccc3c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.38
HSD17B1 P14061 2/20 0.35
ESR2 Q92731 6/20 0.35
ESR1 P03372 5/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CYP19A1 P11511 2/20 0.34
ABL1 P00519 3/20 0.33
CYP17A1 P05093 2/20 0.33
ABCB1 P08183 2/20 0.33
BCR P11274 2/20 0.33
CYP3A4 P08684 2/20 0.33
TYR P14679 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B2 P37059 1/20 0.33
PDE3B Q13370 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
SCHEMBL8049483 1.00 FTO (0.38) FTOHSD17B1ESR2ESR1CYP11B1
SCHEMBL8047317 0.88 MEN1 (0.42) ESR2ESR1TYR
SCHEMBL8047313 0.88 MEN1 (0.42) ESR2ESR1TYR
SCHEMBL8047071 0.86 FTO (0.36) FTOHSD17B1ESR2ESR1CYP11B1
SCHEMBL8047061 0.86 FTO (0.36) FTOHSD17B1ESR2ESR1CYP11B1
SCHEMBL8046818 0.85 ESR1 (0.45) HSD17B1ESR2ESR1CYP11B1CYP11B2
SCHEMBL8046813 0.85 ESR1 (0.45) HSD17B1ESR2ESR1CYP11B1CYP11B2
SCHEMBL8045898 0.85 MEN1 (0.36)
SCHEMBL8045907 0.85 MEN1 (0.36)
SCHEMBL8052981 0.84 FTO (0.43) FTOHSD17B1ESR2ESR1CYP11B1

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