SCHEMBL11222985

SCHEMBL11222985

O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2cc(S(=O)(=O)O)c(C(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PKM P14618 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ TTR P02766 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PGAM1 P18669 1/20 0.39
▸ S1PR3 Q99500 1/20 0.38
▸ PARG Q86W56 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 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
SCHEMBL11221026 1.00 HSD17B10 (0.49) HSD17B10ALDH1A1KDM4EHPGDPKM
SCHEMBL29445521 0.81 ESR1 (0.50) HSD17B10ALDH1A1PKMKMT2AMAPT
SCHEMBL31059305 0.81 ESR1 (0.50) HSD17B10ALDH1A1PKMKMT2AMAPT
SCHEMBL29490328 0.81 ESR1 (0.50) HSD17B10ALDH1A1PKMKMT2AMAPT
SCHEMBL1782510 0.81 ESR1 (0.50) HSD17B10ALDH1A1PKMKMT2AMAPT
SCHEMBL29600607 0.81 ESR1 (0.50) HSD17B10ALDH1A1PKMKMT2AMAPT
SCHEMBL29561433 0.81 ESR1 (0.50) HSD17B10ALDH1A1PKMKMT2AMAPT
SCHEMBL517673 0.81 ESR1 (0.50) HSD17B10ALDH1A1PKMKMT2AMAPT
SCHEMBL29352388 0.81 ESR1 (0.50) HSD17B10ALDH1A1PKMKMT2AMAPT
SCHEMBL8998645 0.79 ESR1 (0.48) HSD17B10ALDH1A1PKMKMT2AMAPT

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-4355012-A Mixed anthraquinonedisulfonic acids AMERICAN COLOR & CHEMICAL CORPORATION (US) 1982-10-19 — — US disclosed
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