SCHEMBL3899772

SCHEMBL3899772

C=C(C)C(=O)OOCCCOc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL30602832 0.91 POLB (0.36) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL554511 0.91 POLB (0.36) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL21641727 0.86 RXFP1 (0.32) MAPT
SCHEMBL9467307 0.82 KDM4E (0.34) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL18280470 0.82 KDM4E (0.35) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL21586947 0.82 PDE2A (0.36) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL21586951 0.82 PDE2A (0.35) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30887157 0.82 PDE2A (0.36) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL25282759 0.82 POLB (0.32) MAPT
SCHEMBL9467298 0.82 CYP1A2 (0.34) MAPTLMNASMN1; SMN2NPSR1

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-1664855-B1 PROCESS FOR MANUFACTURING INTRAOCULAR LENSES WITH BLUE LIGHT ABSORPTION CHARACTERISTICS BAUSCH & LOMB (US) 2009-03-11 EP claimed