SCHEMBL8045477

SCHEMBL8045477

CC(O)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)c(F)c3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP17A1 P05093 3/20 0.34
HSD17B14 Q9BPX1 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP19A1 P11511 2/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MGLL Q99685 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31

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
SCHEMBL8045473 1.00 CYP11B1 (0.39) CYP11B1CYP11B2CYP17A1HSD17B14ESR1
SCHEMBL8047023 0.96 CYP11B1 (0.36) CYP11B1CYP11B2CYP17A1HSD17B14ESR1
SCHEMBL8047028 0.96 CYP11B1 (0.36) CYP11B1CYP11B2CYP17A1HSD17B14ESR1
SCHEMBL8046104 0.95 CYP11B1 (0.40) CYP11B1CYP11B2CYP17A1ESR1ESR2
SCHEMBL8046110 0.95 CYP11B1 (0.40) CYP11B1CYP11B2CYP17A1ESR1ESR2
SCHEMBL8047054 0.93 CYP11B1 (0.37) CYP11B1CYP11B2CYP17A1HSD17B14ESR1
SCHEMBL8047050 0.93 CYP11B1 (0.37) CYP11B1CYP11B2CYP17A1HSD17B14ESR1
SCHEMBL8045841 0.88 CYP17A1 (0.34) CYP11B1CYP11B2CYP17A1HSD17B14CYP3A4
SCHEMBL8045847 0.88 CYP17A1 (0.34) CYP11B1CYP11B2CYP17A1HSD17B14CYP3A4
SCHEMBL8044198 0.88 CYP17A1 (0.40) CYP11B1CYP11B2CYP17A1ESR1ESR2

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