SCHEMBL26546522

SCHEMBL26546522

CC(C)Nc1ccc(C(=O)C(C)C)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MELK Q14680 5/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ DBH P09172 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31

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
SCHEMBL10060476 0.80 CES2 (0.41) GAAPKMALDH1A1HPGDTAS1R3
SCHEMBL25698096 0.79 TSHR (0.33) GAAHSD17B10PKMALOX15ALDH1A1
SCHEMBL17050413 0.72 GSK3B (0.52) GAAALDH1A1HPGDL3MBTL1HDAC3
SCHEMBL10161072 0.72 DAO (0.54) GAAPKMALDH1A1HPGDHDAC3
SCHEMBL12744773 0.72 DAO (0.59) HSD17B10ALDH1A1HPGDMELKTDP1
SCHEMBL10161070 0.72 NPSR1 (0.53) ALDH1A1HPGDTDP1L3MBTL1HDAC3
SCHEMBL19176675 0.71 DAO (0.57) GAAALDH1A1HPGDTAS1R3TAS1R1
SCHEMBL3195402 0.71 CES2 (0.65) GAAALDH1A1HPGDMELKL3MBTL1
SCHEMBL13423078 0.71 F2 (0.57) GAAALDH1A1HPGDMELKKDM4E
SCHEMBL12667404 0.69 HCAR3 (0.37) ALOX15L3MBTL1CCNA2CDK2HCAR3

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
WO-2023219939-A1 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2023-11-16 — — WO disclosed
WO-2023192642-A2 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2023-10-05 — — WO disclosed
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