SCHEMBL11583246

SCHEMBL11583246

COc1ccc(OC(=O)c2ccc(S(=O)(=O)O)cc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KEAP1 Q14145 2/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ PKM P14618 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
SCHEMBL11582903 0.89 ALDH1A1 (0.48) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL11583826 0.88 MAPT (0.47) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL11585100 0.87 KDM4E (0.51) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL11582677 0.86 ALDH1A1 (0.48) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL11586538 0.85 MAPT (0.49) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL11584073 0.83 KDM4E (0.48) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL11586606 0.83 ALDH1A1 (0.54) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29290485 0.82 ALDH1A1 (0.56) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL11583641 0.81 KMT2A (0.52) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL11585187 0.81 KMT2A (0.47) MAPTPOLBKDM4EALDH1A1HPGD

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-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
Send feedback