SCHEMBL8035237

SCHEMBL8035237

CC(O)CCC/C=C/c1ccc(-c2ccc3cc(O)ccc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.52
ESR2 Q92731 8/20 0.52
MAPT P10636 7/20 0.39
AR P10275 1/20 0.37
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
PFKFB3 Q16875 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
SCHEMBL8035243 1.00 ESR1 (0.52) ESR1ESR2MAPTARMAOB
SCHEMBL8046238 0.93 ESR1 (0.49) ESR1ESR2MAPTARMAOB
SCHEMBL8046231 0.93 ESR1 (0.49) ESR1ESR2MAPTARMAOB
SCHEMBL8052358 0.86 ESR1 (0.46) ESR1ESR2MAPTARMAOB
SCHEMBL8052351 0.86 ESR1 (0.46) ESR1ESR2MAPTARMAOB
SCHEMBL8052448 0.85 BCHE (0.40) ESR1ESR2MAPTESRRBESRRA
SCHEMBL8052443 0.85 BCHE (0.40) ESR1ESR2MAPTESRRBESRRA
SCHEMBL8047675 0.84 ESR2 (0.36) ESR1ESR2MAPTMAOB
SCHEMBL8036779 0.84 MAPT (0.36) ESR1ESR2MAPTMAOBPDE3B
SCHEMBL8036782 0.84 MAPT (0.36) ESR1ESR2MAPTMAOBPDE3B

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