SCHEMBL25476209

SCHEMBL25476209

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ HSD11B1 P28845 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SERPINE1 P05121 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 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 0.88 MEN1 (0.48) MEN1KMT2ANPC1SMN1; SMN2KDM4E
SCHEMBL25476179 0.87 SERPINE1 (0.51) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL25476191 0.85 NPC1 (0.46) KMT2ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL25476229 0.84 GAA (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL20908982 0.84 KLF10 (0.50) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL20908983 0.82 CYP4F2 (0.46) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL25476195 0.82 NPC1 (0.38) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL25476200 0.82 ALDH1A1 (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL25476231 0.82 PTGS2 (0.40) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL24292454 0.82 CYP1A2 (0.35) MEN1KMT2ASMN1; SMN2KDM4EL3MBTL1

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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