SCHEMBL29313982

SCHEMBL29313982

COOC(=O)CCNCC(O)COCCCCS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL23988618 0.87 KDM4E (0.33) CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL23988538 0.74 KDM4E (0.34) CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL23988529 0.69 CYP1A2 (0.34) PLA2G2CCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL23988531 0.67 KDM4E (0.34) KDM4E
SCHEMBL19660808 0.67 KDM4E (0.38) CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL23988563 0.67 KDM4E (0.38) CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL21982182 0.66 KDM4E (0.42) PLA2G2CCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL19198573 0.65 KDM4E (0.36) KDM4E
SCHEMBL23837976 0.65 APP (0.40) CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL14028636 0.64 TSHR (0.42) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867309-B1 SILANOL COMPOSITIONS AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-07-17 EP disclosed