SCHEMBL9065373

SCHEMBL9065373

C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1CC2CC(C1C)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.39
CYP17A1 P05093 8/20 0.39
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 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
SCHEMBL17213197 0.82 CYP19A1 (0.49) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL4597731 0.82 CYP19A1 (0.49) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL5978171 0.77 NAAA (0.37) CYP19A1CYP17A1
SCHEMBL17213209 0.77 CYP19A1 (0.49) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL4598002 0.77 CYP19A1 (0.49) CYP19A1CYP17A1SCN1ASCN2ASCN3A
Acrylic Acid SCHEMBL28320730 0.73 THRB (0.36) CYP19A1CYP17A1
Acrylic Acid Methyl Ester SCHEMBL28271141 0.73 ALDH1A1 (0.34) CYP19A1
SCHEMBL45476 0.73 NAAA (0.40) CYP19A1CYP17A1SCN1ASCN2ASCN3A
SCHEMBL28131970 0.72 CYP2C19 (0.44)
SCHEMBL28138951 0.71 NAAA (0.39) CYP19A1CYP17A1SCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534605-A Hydrophilic oxygen permeable polymers BAUSCH & LOMB INCORPORATED (US) 1996-07-09 US disclosed
US-5357013-A (meth) acrylated polysiloxanes copolymerized with vinyl containing oxazolinone wetting agents BAUSCH & LOMB INCORPORATED (US) 1994-10-18 US disclosed
EP-0338656-B1 Polymeric silicone-based materials with high oxygen permeability BAUSCH & LOMB (US) 1994-03-02 EP disclosed
EP-0328340-B1 HYDROPHILIC OXYGEN PERMEABLE POLYMERS BAUSCH & LOMB INCORPORATED (US) 1993-03-31 EP disclosed
US-4910277-A Blend of polysiloxane and an interior wetting agent BAUSCH & LOMB INCORPORATED 1990-03-20 US disclosed
EP-0338656-A2 Polymeric silicone-based materials with high oxygen permeability BAUSCH & LOMB INCORPORATED (US) 1989-10-25 EP disclosed
EP-0328340-A2 Hydrophilic oxygen permeable polymers BAUSCH & LOMB INCORPORATED (US) 1989-08-16 EP disclosed
US-4810764-A CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 1989-03-07 US disclosed