SCHEMBL2343404

SCHEMBL2343404

C[C@@]1(Oc2ccc3ccc(=O)oc3c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
DNMT1 P26358 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 7/20 0.47
CA9 Q16790 7/20 0.47
CA1 P00915 6/20 0.47
CA7 P43166 5/20 0.47
CA13 Q8N1Q1 1/20 0.47
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
MTNR1A P48039 1/20 0.46
CA6 P23280 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA4 P22748 3/20 0.46
CA5A P35218 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 6/20 0.46
CA3 P07451 2/20 0.46

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
SCHEMBL9118857 1.00 TDP1 (0.48) TDP1DNMT1L3MBTL1CA12CA9
SCHEMBL1581949 1.00 TDP1 (0.48) TDP1DNMT1L3MBTL1CA12CA9
SCHEMBL8021414 1.00 TDP1 (0.48) TDP1DNMT1L3MBTL1CA12CA9
SCHEMBL11328299 0.87 KDM4E (0.45) TDP1DNMT1L3MBTL1CA12CA9
SCHEMBL3193551 0.82 KDM4E (0.48) TDP1CA12CA9CA1CA7
Herniarin SCHEMBL8840598 0.74 CA12 (0.62) TDP1DNMT1L3MBTL1CA12CA9
SCHEMBL10801289 0.74 ALDH1A1 (0.46) TDP1DNMT1L3MBTL1CA12CA9
SCHEMBL6009962 0.73 SLC5A1 (0.39)
Skimmin SCHEMBL3823923 0.73 KDM4E (0.71) TDP1DNMT1L3MBTL1CA12CA9
Skimmin SCHEMBL3891106 0.73 KDM4E (0.71) TDP1DNMT1L3MBTL1CA12CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4259442-A COLORIMETRIC ANALYSIS LABORATOIRE DE RECHERCHE API S.A.R.L. (FR) 1981-03-31 US claimed
EP-1600514-B1 SELECTIVE CULTURE MEDIUM FOR THE ISOLATION AND/OR DETECTION OF SPECIES IN THE STREPTOCOCCUS GENUS CT NAC BIOPREPARADOS (CU) 2011-08-31 EP disclosed