SCHEMBL8052981

SCHEMBL8052981

CC(O)CCC/C=C/c1ccc(-c2ccc3cc(O)ccc3c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.43
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP19A1 P11511 2/20 0.39
HSD17B1 P14061 2/20 0.38
ESR2 Q92731 9/20 0.38
ESR1 P03372 8/20 0.38
ABL1 P00519 2/20 0.36
ABCB1 P08183 2/20 0.36
BCR P11274 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B2 P37059 1/20 0.35
CYP17A1 P05093 2/20 0.35
LTB4R Q15722 1/20 0.34
TYR P14679 1/20 0.33

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
SCHEMBL8052985 1.00 FTO (0.43) FTOCYP11B1CYP11B2CYP19A1HSD17B1
SCHEMBL8049757 0.88 MEN1 (0.36) ESR2ESR1LTB4RTYR
SCHEMBL8049703 0.88 MEN1 (0.36) ESR2ESR1LTB4RTYR
SCHEMBL8049700 0.88 MEN1 (0.36) ESR2ESR1LTB4RTYR
SCHEMBL8049761 0.88 MEN1 (0.36) ESR2ESR1LTB4RTYR
SCHEMBL8047264 0.87 TYR (0.35) FTOLTB4RTYR
SCHEMBL8047266 0.87 TYR (0.35) FTOLTB4RTYR
SCHEMBL8049483 0.84 FTO (0.38) FTOCYP11B1CYP11B2CYP19A1HSD17B1
SCHEMBL8049486 0.84 FTO (0.38) FTOCYP11B1CYP11B2CYP19A1HSD17B1
SCHEMBL8054124 0.84 SRC (0.40) CYP11B1CYP11B2CYP19A1ABL1CYP2D6

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