SCHEMBL27447312

SCHEMBL27447312

CCCCCCCCCCCCCCCCCCNC(=O)c1cc(C)cc(C)c1OI

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NAAA Q02083 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ MLYCD O95822 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL18646127 0.79 NAAA (0.54) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL27358415 0.79 NAAA (0.61) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL27355577 0.79 L3MBTL1 (0.56) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL27358399 0.79 L3MBTL1 (0.46) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL8211224 0.76 L3MBTL1 (0.68) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL27354320 0.75 CA2 (0.46) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL14812246 0.75 NAAA (0.66) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL14812810 0.75 NAAA (0.66) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL14816297 0.75 NAAA (0.66) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2
SCHEMBL18645026 0.75 NR5A2 (0.55) L3MBTL1NAAALMNAALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 — — CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 — — CN disclosed
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