SCHEMBL9679999

SCHEMBL9679999

COc1c(C(=O)O)ccc2c(OC)c(C(=O)O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 4/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 5/20 0.44
CDC25B P30305 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 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
SCHEMBL1505827 0.88 TDP1 (0.61) TDP1MAPTALDH1A1HSD17B10POLB
Hydrochloric Acid SCHEMBL2202243 0.86 TDP1 (0.59) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL8967035 0.86 CDC25B (0.56) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL1671110 0.81 CYP1A1 (0.64) TDP1MAPTALDH1A1KDM4ECDC25B
SCHEMBL23724854 0.80 POLB (0.54) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL4138140 0.80 ESR1 (0.49) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL39857 0.79 ALDH1A1 (0.55) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL419245 0.78 TDP1 (0.56) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL102827 0.78 MAPT (0.72) TDP1MAPTALDH1A1KDM4ECDC25B
SCHEMBL18529850 0.78 TDP1 (0.52) TDP1MAPTALDH1A1HSD17B10POLB

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-5097015-A Fibers, filaments, films and sheets HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed