SCHEMBL29638347

SCHEMBL29638347

C=C(C)C(=O)OCC(C)(COC(=O)Nc1cccc(SC)c1)COC(=O)C(=C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL23391666 1.00 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL23448425 0.93 MEN1 (0.42) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL24434320 0.86 MEN1 (0.52) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL28837333 0.84 MEN1 (0.53) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3204560 0.83 MEN1 (0.49) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL16145901 0.78 MEN1 (0.60) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL21695750 0.76 MEN1 (0.66) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9302218 0.73 MAPT (0.59) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL2093911 0.73 MAPT (0.62) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL126634 0.73 SMN1; SMN2 (0.53) MEN1KMT2AMAPTCYP1A2CYP3A4

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
EP-4244203-A1 SUBSTITUTED PROPANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS META PLATFORMS TECHNOLOGIES, LLC (US) 2023-09-20 EP disclosed
EP-4244204-A1 SUBSTITUTED MONO- AND POLY-PHENYL-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS META PLATFORMS TECHNOLOGIES, LLC (US) 2023-09-20 EP disclosed
WO-2022104113-A1 SUBSTITUTED MONO- AND POLY-PHENYL-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2022-05-19 WO disclosed
WO-2022104137-A1 SUBSTITUTED PROPANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2022-05-19 WO disclosed