SCHEMBL30973170

SCHEMBL30973170

CC1=CC(C)(C)Nc2c1ccc(NC(C)CC(C)C)c2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ KDM4E B2RXH2 7/20 0.36
▸ HPGD P15428 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ PGR P06401 10/20 0.33
▸ AR P10275 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL5504578 0.69 CES1 (0.46) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL13801824 0.68 ALDH1A1 (0.47) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL21051255 0.68 ALDH1A1 (0.59) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL27306004 0.63 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL13801825 0.63 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP3A4MAPK1ALOX15
SCHEMBL9863881 0.63 HSD17B10 (0.63) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL26649009 0.62 ALDH1A1 (0.51) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL27306124 0.61 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL27305909 0.61 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL14144031 0.61 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CYP3A4KDM4E

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-4638590-A2 RUBBER COMPOSITIONS COMPRISING ANTIDEGRADANTS FLEXSYS AMERICA L.P. (US) 2025-10-29 — — EP disclosed
WO-2025137303-A1 META-PHENYLENEDIAMINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2025-06-26 — — WO disclosed
WO-2024137665-A2 RUBBER COMPOSITIONS COMPRISING ANTIDEGRADANTS FLEXSYS AMERICA L.P. (US) 2024-06-27 — — WO disclosed
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