SCHEMBL5278366

SCHEMBL5278366

CCC(CC)=C(CN)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
CYP19A1 P11511 7/20 0.46
ESR2 Q92731 6/20 0.46
CYP3A4 P08684 2/20 0.44
ATM Q13315 1/20 0.43
PTGS2 P35354 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP3A5 P20815 1/20 0.40

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
SCHEMBL5278371 0.85 ESR1 (0.48) ESR1CYP19A1ESR2CYP3A4ATM
SCHEMBL585024 0.84 ESR1 (0.55) ESR1CYP19A1ESR2CYP3A4ATM
Hydrochloric Acid SCHEMBL28664967 0.80 ESR1 (0.52) ESR1CYP19A1ESR2CYP3A4ATM
SCHEMBL10920105 0.79 CYP19A1 (0.49) ESR1CYP19A1ESR2CYP3A4ATM
Etifelmine SCHEMBL309131 0.78 ESR1 (0.46) ESR1CYP19A1ESR2CYP3A4ATM
SCHEMBL9310269 0.78 ESR1 (0.56) ESR1CYP19A1ESR2ATMPTGS2
SCHEMBL5283226 0.77 PTGS2 (0.41) ESR1CYP19A1ESR2CYP3A4PTGS2
Etifelmine SCHEMBL31415091 0.77 ESR1 (0.44) ESR1CYP19A1ESR2CYP3A4ATM
SCHEMBL28154521 0.77 ESR1 (0.48) ESR1CYP19A1ESR2CYP3A4ATM
SCHEMBL3314631 0.76 ESR1 (0.61) ESR1CYP19A1ESR2CYP3A4ATM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1281516-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-6951171-B2 Using graft polymer on etched or anodized aluminum substrate FUJI PHOTO FILM CO., LTD. (JP) 2005-10-04 US disclosed
US-20030129520-A1 Using graft polymer on etched or anodized aluminum substrate FUJIFILM CORPORATION (JP) 2003-07-10 US disclosed
EP-1281516-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2003-02-05 EP disclosed
EP-0335560-B2 Controlled release pharmaceutical preparation and method for producing the same TANABE SEIYAKU CO (JP) 2002-01-23 EP disclosed
US-5689779-A Liquid developer and developing method and developing apparatus using same MINOLTA CO., LTD. (JP) 1997-11-18 US disclosed
US-5254347-A Coating core with porous film of hydrophobic polymer TANABE SEIYAKU CO., LTD. (JP) 1993-10-19 US disclosed
EP-0335560-B1 CONTROLLED RELEASE PHARMACEUTICAL PREPARATION AND METHOD FOR PRODUCING THE SAME Tanabe Seiyaku Co., Ltd. (JP) 1993-07-28 EP disclosed
US-5068112-A Core containing active ingredient and succinic acid with surface porous film of cellulose TANABE SEIYAKU CO., LTD. (JP) 1991-11-26 US disclosed
EP-0335560-A2 Controlled release pharmaceutical preparation and method for producing the same Tanabe Seiyaku Co., Ltd. (JP) 1989-10-04 EP disclosed