SCHEMBL8957635

SCHEMBL8957635

C=C(C)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C(=C)C)c(Cl)c2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PPARA Q07869 3/20 0.42
PPARD Q03181 1/20 0.42
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37

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
SCHEMBL14173156 0.87 VDR (0.43) SMN1; SMN2KDM4EPPARDRAB9ATHRB
SCHEMBL4445618 0.85 THRB (0.41) SMN1; SMN2KDM4EPPARAPPARDMAPT
SCHEMBL8957628 0.85 ALDH1A1 (0.41) SMN1; SMN2KDM4EGAANPC1RAB9A
SCHEMBL11167579 0.84 CYP2C19 (0.48) CYP2C19SMN1; SMN2KDM4EGAARXRA
SCHEMBL8957764 0.83 CYP2C19 (0.38) CYP2C19SMN1; SMN2KDM4EGAARXRA
SCHEMBL8957604 0.83 THRB (0.41) CYP2C19SMN1; SMN2KDM4EGAAMAPT
SCHEMBL10874094 0.82 ELANE (0.39) CYP2C19SMN1; SMN2KDM4EGAAPPARA
SCHEMBL15500144 0.82 VDR (0.40) SMN1; SMN2KDM4EPPARAPPARDTHRB
SCHEMBL11175307 0.82 CYP2C19 (0.48) CYP2C19SMN1; SMN2KDM4EGAARXRA
SCHEMBL11015727 0.81 POLB (0.36) SMN1; SMN2KDM4EHPGDMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8020615-A None JP disclosed
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US disclosed
JP-H0820615-A POLYMERIZABLE COMPOSITION TOKUYAMA CORP 1996-01-23 JP disclosed
EP-0691550-A2 Polymerizable composition and organic glass TOKUYAMA CORPORATION (JP) 1996-01-10 EP disclosed
US-4369298-A Novel cured resin, process for production thereof, and lens composed of said resin from bis(alkyleneoxyphenyl)-diacrylate, bis(alkyleneoxyphenyl)diallyl ether, bis(alkyleneoxyphenyl)diallyl carbonate monomers TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1983-01-18 US disclosed