SCHEMBL8046231

SCHEMBL8046231

CC(O)CCC/C=C/c1ccc2nc(-c3ccc(O)cc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.49
ESR2 Q92731 9/20 0.49
AR P10275 1/20 0.40
MAPT P10636 7/20 0.39
MAOB P27338 2/20 0.36
ESRRB O95718 4/20 0.36
ESRRA P11474 4/20 0.36
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 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
SCHEMBL8046238 1.00 ESR1 (0.49) ESR1ESR2ARMAPTMAOB
SCHEMBL8035237 0.93 ESR1 (0.52) ESR1ESR2ARMAPTMAOB
SCHEMBL8035243 0.93 ESR1 (0.52) ESR1ESR2ARMAPTMAOB
SCHEMBL8047344 0.87 ESR1 (0.40) ESR1ESR2MAPTMAOB
SCHEMBL8047346 0.87 ESR1 (0.40) ESR1ESR2MAPTMAOB
SCHEMBL8051063 0.86 MAPT (0.36) ESR1ESR2MAPTMAOBPDE3B
SCHEMBL8051060 0.86 MAPT (0.36) ESR1ESR2MAPTMAOBPDE3B
SCHEMBL8044701 0.85 BCHE (0.43) ESR1ESR2MAPTESRRBESRRA
SCHEMBL8044705 0.85 BCHE (0.43) ESR1ESR2MAPTESRRBESRRA
SCHEMBL8035151 0.84 ESR2 (0.34) ESR1ESR2MAPTMAOB

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