SCHEMBL8957708

SCHEMBL8957708

C=C(C)C(=O)OC(C)OC(C)OC(C)OC(C)OC(C)Oc1ccc(C(C)(C)c2ccc(OC(C)OC(C)OC(C)OC(C)OC(C)OC(=O)C(=C)C)c(Cl)c2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.36
CYP2C19 P33261 3/20 0.36
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX12 P18054 1/20 0.31
ACACB O00763 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
SCHEMBL8957718 1.00 RORC (0.36) RORCCYP2C19GAAALDH1A1LMNA
SCHEMBL8957750 0.99 RORC (0.37) RORCCYP2C19GAAALDH1A1LMNA
SCHEMBL8957633 0.93 RORC (0.39) RORCCYP2C19GAAALDH1A1LMNA
SCHEMBL8957721 0.85 CYP2C19 (0.35) RORCCYP2C19GAAALDH1A1LMNA
SCHEMBL8957702 0.84
SCHEMBL8957611 0.84
SCHEMBL8957727 0.84 CYP2C19 (0.36) RORCCYP2C19GAAALDH1A1LMNA
SCHEMBL8957618 0.83
SCHEMBL9071095 0.81 AR (0.36) GAAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8957777 0.81 AR (0.36) GAAALDH1A1MAPTSMN1; SMN2KDM4E

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