SCHEMBL25476231

SCHEMBL25476231

CC(=O)Oc1cc(C)ccc1C(=O)OCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ LMNA P02545 3/20 0.35

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
SCHEMBL25476241 0.87 NPSR1 (0.43) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL25476239 0.87 ACHE (0.39) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL25476229 0.86 GAA (0.47) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL19756066 0.86 PTGS2 (0.39) PTGS2ALDH1A1KMT2AKDM4EGAA
SCHEMBL25476245 0.85 KMT2A (0.46) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL25527981 0.84 PTGS2 (0.38) PTGS2ALDH1A1KMT2AKDM4EGAA
SCHEMBL25476243 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL25476209 0.82 MEN1 (0.48) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL25476244 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL25476179 0.81 SERPINE1 (0.51) ALDH1A1KMT2AKDM4ENPC1RAB9A

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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