SCHEMBL25476200

SCHEMBL25476200

Cc1ccc(N)c(C(=O)OCCS(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ HSD17B10 Q99714 7/20 0.42
▸ MAPT P10636 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ HPGD P15428 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL17578250 0.85 MEN1 (0.48) ALDH1A1MAPTNPC1MAPK1KDM4E
SCHEMBL20908982 0.84 KLF10 (0.50) NPC1KDM4EGAAPOLBL3MBTL1
SCHEMBL25527934 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10MAPTNPC1MAPK1
SCHEMBL20908983 0.83 CYP4F2 (0.46) ALDH1A1MAPTNPC1KDM4EHPGD
SCHEMBL25476195 0.83 NPC1 (0.38) ALDH1A1MAPTNPC1MAPK1KDM4E
SCHEMBL19756063 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10MAPTNPC1MAPK1
SCHEMBL18775887 0.83 KEAP1 (0.49) ALDH1A1HSD17B10MAPTNPC1MAPK1
SCHEMBL25476209 0.82 MEN1 (0.48) ALDH1A1NPC1HTTKDM4EGAA
SCHEMBL25476179 0.81 SERPINE1 (0.51) ALDH1A1HSD17B10NPC1MAPK1KDM4E
SCHEMBL25737065 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTNPC1MAPK1

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-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 — — US disclosed
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