SCHEMBL8957789

SCHEMBL8957789

C=C(C)C(=O)OC(OCC)(Oc1ccc(C(C)(C)c2ccc(OC(OCC)(OC(=O)C(=C)C)C(OCC)(OCC)OCC)cc2)cc1)C(OCC)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 7/20 0.33
POLB P06746 3/20 0.33
AR P10275 1/20 0.32
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
ACACB O00763 1/20 0.32
ELANE P08246 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL8957746 0.89 AR (0.31) AR
SCHEMBL19327020 0.84 ABCB11 (0.33) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL8957671 0.84 ELANE (0.31) ELANE
SCHEMBL8957717 0.81 CYP2C19 (0.38) PPARAKDM4EALDH1A1MEN1KMT2A
SCHEMBL144594 0.79 ELANE (0.36) CYP1A2CYP3A4TSHRPPARAKDM4E
SCHEMBL8957652 0.79 ALDH1A1 (0.34) CYP3A4TSHRALDH1A1TDP1
SCHEMBL8957705 0.79
SCHEMBL19789507 0.79 EPHX2 (0.38) CYP1A2KDM4EPOLBARALDH1A1
SCHEMBL7622862 0.78 KDM4E (0.37) KDM4EPOLBARALDH1A1MEN1
SCHEMBL7565567 0.74 THRB (0.36) CYP1A2TSHRPOLBALDH1A1HTT

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