SCHEMBL9058022

SCHEMBL9058022

COC1=C(C(C)=O)Cc2cccc(OC)c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
KMT2A Q03164 6/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36

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
SCHEMBL9058294 0.88 KMT2A (0.40) KDM4ELMNAALDH1A1KMT2AMAPT
SCHEMBL9058487 0.78 MAOA (0.44) KDM4EALDH1A1HSD17B10CA12CA9
SCHEMBL4140771 0.73 CA12 (0.54) KDM4EALDH1A1CA12CA9KMT2A
SCHEMBL9058216 0.72 CA12 (0.41) KDM4ELMNAALDH1A1HSD17B10CA12
SCHEMBL9058295 0.70 ALDH1A1 (0.41) KDM4EALDH1A1CA12CA9KMT2A
SCHEMBL9058193 0.70 MTNR1A (0.44) KDM4EALDH1A1CA12CA9KMT2A
SCHEMBL5758407 0.69 MAOB (0.53) KDM4EALDH1A1CA12CA9KMT2A
SCHEMBL9058219 0.68 CA12 (0.39) LMNACA12CA9KMT2AMAPT
SCHEMBL6507725 0.67 CD69 (0.40) KDM4ELMNAALDH1A1HSD17B10CA12
SCHEMBL6105692 0.67 CA12 (0.45) KDM4ELMNAALDH1A1HSD17B10CA12

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
WO-1996020296-A1 USE OF CHROMIUM DERIVATIVES AS BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed