SCHEMBL30780832

SCHEMBL30780832

C=CC(=O)NC(C)(C)C(=O)OCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NAAA Q02083 4/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FKBP1A P62942 1/20 0.42
CXCR2 P25025 1/20 0.41

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
SCHEMBL7789600 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL30780863 0.79 POLB (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL2032975 0.78 TSHR (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL3935097 0.78 LMNA (0.56) NAAALMNANPC1RECQLRAB9A
SCHEMBL16622922 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL583346 0.77 TSHR (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL26478906 0.77 ZDHHC20 (0.46) ALDH1A1CYP3A4NAAA
SCHEMBL30780849 0.77 POLB (0.63) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14007854 0.77 TSHR (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL5697765 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581090-A1 PRESSURE SENSITIVE ADHESIVE COMPOSITIONS COMPRISING POLYMERIZED AMIDE MONOMERS, ARTICLES, AND METHODS 3M Innovative Properties Company (US) 2025-07-09 EP disclosed
CN-119790116-A Pressure sensitive adhesive compositions, articles, and methods comprising polymerized amide monomers 3M创新有限公司 2025-04-08 CN disclosed
WO-2024047418-A1 PRESSURE SENSITIVE ADHESIVE COMPOSITIONS COMPRISING POLYMERIZED AMIDE MONOMERS, ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-03-07 WO disclosed