SCHEMBL11336416

SCHEMBL11336416

COc1cc(C(=O)O)cc(OC)n1.[N-]=[N+]=N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ CA6 P23280 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA3 P07451 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ PTGS2 P35354 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL11342868 0.91 ALDH1A1 (0.47) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL668838 0.88 KDM4E (0.69) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL5365414 0.79 ALDH1A1 (0.58) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL1291177 0.79 KDM4E (0.58) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL31550344 0.79 ALDH1A1 (0.58) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL4595571 0.78 ALDH1A1 (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL2715034 0.78 KDM4E (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL4595561 0.78 ALDH1A1 (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL837798 0.78 ALDH1A1 (0.56) KDM4EALDH1A1TDP1LMNACA1
SCHEMBL28304077 0.78 KDM4E (0.56) KDM4EALDH1A1TDP1LMNACA1

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-4308054-A PLANT GROWTH REGULATORS SATO, SUSUMU (JP) 1981-12-29 — — US disclosed
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