SCHEMBL23963416

SCHEMBL23963416

CC(C)C(=O)OC1CCC(OC(=O)CS(=O)(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.33
▸ CYP19A1 P11511 3/20 0.31
▸ HTT P42858 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23963419 0.94 MAPT (0.32) CYP19A1MAPTALDH1A1SMN1; SMN2
SCHEMBL754296 0.80 — —
SCHEMBL15219799 0.78 NAAA (0.46) NAAACYP19A1HTTMAPTALDH1A1
SCHEMBL18775900 0.78 NAAA (0.42) NAAACYP19A1HTTAPOBEC3AAPOBEC3G
SCHEMBL18775927 0.77 CYP2C19 (0.49) NAAACYP19A1HTTMAPTALDH1A1
SCHEMBL17717476 0.77 CYP2C19 (0.49) NAAACYP19A1HTTMAPTALDH1A1
SCHEMBL18775934 0.77 CYP2C19 (0.49) NAAACYP19A1HTTMAPTALDH1A1
SCHEMBL18776038 0.77 CYP2C19 (0.49) NAAACYP19A1HTTMAPTALDH1A1
SCHEMBL18775961 0.77 CYP2C19 (0.49) NAAACYP19A1HTTMAPTALDH1A1
SCHEMBL23974099 0.76 — —

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-20210333712-A1 IODIZED AROMATIC CARBOXYLIC ACID TYPE PENDANT-CONTAINING POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-10-28 — — US disclosed
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