SCHEMBL8957628

SCHEMBL8957628

C=C(C)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C(=C)C)c(Br)c2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 7/20 0.38
THRB P10828 1/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
APEX1 P27695 1/20 0.38
LMNA P02545 1/20 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) ALDH1A1SMN1; SMN2KMT2AHTTRAB9A
SCHEMBL8957635 0.85 CYP2C19 (0.48) SMN1; SMN2HTTNPC1RAB9AL3MBTL1
SCHEMBL4445618 0.85 THRB (0.41) ALDH1A1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL7520631 0.84 HTR1B (0.48) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL672151 0.83 ALDH1A1 (0.43) ALDH1A1HTTALOX15HSD17B10POLB
SCHEMBL15500144 0.82 VDR (0.40) ALDH1A1SMN1; SMN2KMT2AHTTPOLB
SCHEMBL10874094 0.82 ELANE (0.39) ALDH1A1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL11182674 0.82 THRB (0.46) ALDH1A1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL11015727 0.81 POLB (0.36) ALDH1A1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL11015742 0.81 POLB (0.36) ALDH1A1SMN1; SMN2KMT2AHTTMEN1

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 4 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
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