SCHEMBL8957757

SCHEMBL8957757

C=C(C)C(=O)OC(COc1ccc(C(C)(C)c2ccc(OCC(OCC)OC(=O)C(=C)C)c(Cl)c2)cc1Cl)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RORC P51449 1/20 0.37
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 1/20 0.35
MRGPRX4 Q96LA9 7/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL8957622 0.85 ALDH1A1 (0.33) AR
SCHEMBL1468098 0.83 AR (0.46) ARKDM4EGAASMN1; SMN2PPARD
SCHEMBL8957697 0.79 ALDH1A1 (0.46) AR
SCHEMBL5223398 0.79 AR (0.43) ARKDM4EGAASMN1; SMN2PPARD
SCHEMBL4200631 0.77 TDP1 (0.35) RXRARXRBRXRGKDM4EGAA
SCHEMBL8957781 0.76 AR (0.43) ARKDM4EGAASMN1; SMN2
SCHEMBL8957633 0.76 RORC (0.39) CYP2C19RXRARXRBRXRGRORC
SCHEMBL8957635 0.76 CYP2C19 (0.48) CYP2C19RXRARXRBRXRGKDM4E
SCHEMBL8957658 0.76 ALDH1A1 (0.37) KDM4E
SCHEMBL8957684 0.76 ALDH1A1 (0.37) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US claimed
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US disclosed
EP-0691550-A2 Polymerizable composition and organic glass TOKUYAMA CORPORATION (JP) 1996-01-10 EP disclosed