SCHEMBL29636462

SCHEMBL29636462

CC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ KIF11 P52732 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTR1D P28221 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PLA2G1B P04054 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
SCHEMBL21628210 1.00 ALOX5 (0.41) ALOX5KIF11ALDH1A1HPGDALOX15
SCHEMBL27344289 0.91 KIF11 (0.49) ALOX5KIF11ALDH1A1HPGDALOX15
SCHEMBL21628219 0.91 ALOX5 (0.59) ALOX5KIF11ALDH1A1TDP1GAA
SCHEMBL30811586 0.91 KIF11 (0.49) ALOX5KIF11ALDH1A1HPGDALOX15
SCHEMBL29636432 0.91 ALOX5 (0.59) ALOX5KIF11ALDH1A1TDP1GAA
SCHEMBL13820938 0.88 NPC1 (0.37) ALOX5KIF11ALDH1A1HPGDALOX15
SCHEMBL27344291 0.85 ACE2 (0.49) ALOX5KIF11ALDH1A1HPGDALOX15
SCHEMBL27344284 0.85 ACE2 (0.49) ALOX5KIF11ALDH1A1HPGDALOX15
SCHEMBL30811571 0.85 ACE2 (0.49) ALOX5KIF11ALDH1A1HPGDALOX15
SCHEMBL10131272 0.85 ALDH1A1 (0.34) KIF11ALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543863-A1 FERROPTOSIS INHIBITORS AND USES THEREOF University Of Ottawa (CA) 2025-04-30 — — EP disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 — — WO disclosed
EP-4237498-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS Milliken & Company (US) 2023-09-06 — — EP disclosed
WO-2022093189-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY (US) 2022-05-05 — — WO disclosed
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