SCHEMBL11530482

SCHEMBL11530482

CCOC(=O)c1c([S+](N)[O-])c2cc(C)ccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ELANE P08246 2/20 0.43
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
ALOX5 P09917 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL11527258 0.88 MAPT (0.49) MAPTELANELMNAL3MBTL1KDM4E
SCHEMBL11533785 0.88 MAPT (0.48) MAPTELANELMNAL3MBTL1KDM4E
SCHEMBL11535223 0.77 ALDH1A1 (0.48) MAPTELANELMNAL3MBTL1KDM4E
SCHEMBL11537481 0.77 KDM4E (0.53) MAPTELANELMNAL3MBTL1KDM4E
SCHEMBL11531585 0.74 L3MBTL1 (0.48) MAPTL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9144209 0.73 KDM4E (0.53) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL22478566 0.72 ALDH1A1 (0.67) LMNAKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11532443 0.72 KDM4E (0.51) MAPTELANELMNAL3MBTL1KDM4E
SCHEMBL5525935 0.71 ALDH1A1 (0.72) LMNAKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL5791184 0.71 ALDH1A1 (0.42) MAPTELANEKDM4EALDH1A1HSD17B10

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
US-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 US disclosed