SCHEMBL28077174

SCHEMBL28077174

CCOc1ccc2c(=O)c3c(C=O)c(C[O])ccc3sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
MAPT P10636 7/20 0.37
HSD17B10 Q99714 5/20 0.37
KDM4E B2RXH2 7/20 0.36
TDP1 Q9NUW8 3/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
HIF1A Q16665 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 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
SCHEMBL4473422 0.76 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10KDM4ETDP1
SCHEMBL6875166 0.73 TDP1 (0.47) ALDH1A1MAPTHSD17B10KDM4ETDP1
SCHEMBL4473461 0.71 TDP1 (0.56) ALDH1A1MAPTKDM4ETDP1KMT2A
SCHEMBL4484085 0.71 MAPT (0.57) ALDH1A1MAPTHSD17B10KDM4ETDP1
SCHEMBL21266481 0.66 KMT2A (0.47) ALDH1A1MAPTHSD17B10KDM4ETDP1
SCHEMBL274964 0.66 KDM4E (0.70) ALDH1A1MAPTHSD17B10KDM4ETDP1
SCHEMBL1792826 0.64 KDM4E (0.41) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL1793507 0.64 KDM4E (0.48) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL1793713 0.63 ESR1 (0.43) ALDH1A1MAPTKDM4ETDP1KMT2A
SCHEMBL1794150 0.63 ESR1 (0.41) ALDH1A1MAPTKDM4ETDP1KMT2A

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
CN-103153952-B The oxime ester derivative of benzo carbazole compound and in photopolymerisable compositions as the purposes of photoinitiator 巴斯夫欧洲公司 2016-07-13 CN disclosed