SCHEMBL19506403

SCHEMBL19506403

COC(=O)c1cc2cc(OS)c(O)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.46
▸ GPR35 Q9HC97 1/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29217465 0.88 XDH (0.48) XDHGPR35CYP1A2ULK1KDM4E
SCHEMBL668523 0.84 GPR35 (0.62) XDHGPR35CYP1A2ULK1KDM4E
SCHEMBL29803654 0.84 GPR35 (0.62) XDHGPR35CYP1A2ULK1KDM4E
SCHEMBL19506405 0.83 GPR35 (0.67) GPR35CYP1A2KDM4EALDH1A1HPGD
SCHEMBL25721502 0.83 XDH (0.48) XDHGPR35KDM4EALDH1A1HPGD
SCHEMBL30988744 0.82 XDH (0.48) XDHGPR35CYP1A2ULK1KDM4E
SCHEMBL29217462 0.82 XDH (0.48) XDHGPR35CYP1A2ULK1KDM4E
SCHEMBL6514324 0.80 RXFP1 (0.53) XDHCYP1A2KDM4EALDH1A1HPGD
SCHEMBL5023582 0.79 XDH (0.48) XDHGPR35CYP1A2KDM4EALDH1A1
SCHEMBL4809183 0.79 XDH (0.48) XDHGPR35CYP1A2ULK1KDM4E

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-2017182340-A1 USE OF O-GLYCOSYLATED INDOLE OR INDOLINE DERIVATIVE WITH GLYCOSIDASE FOR DEYING KERATIN FIBERS L'OREAL (FR) 2017-10-26 — — WO disclosed
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