SCHEMBL13656194

SCHEMBL13656194

CC(C)c1ccc2oc(C(C)(C)C)cc(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.54
▸ STS P08842 2/20 0.53
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ADCY1 Q08828 1/20 0.45
▸ TNKS O95271 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ TBK1 Q9UHD2 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ PTPN1 P18031 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ ABCC4 O15439 1/20 0.39

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
SCHEMBL11563475 0.84 ALOX15 (0.51) ALOX15STSMAPTHTTADCY1
SCHEMBL23334899 0.80 TNKS (0.49) MAPTTNKSPARP1TNKS2HDAC6
SCHEMBL11554487 0.79 STS (0.46) ALOX15STSMAPTHTTADCY1
SCHEMBL23334588 0.79 MAPT (0.73) ALOX15STSMAPTHTTADCY1
SCHEMBL13310593 0.78 TNKS (0.50) MAPTHTTADCY1TNKSPARP1
SCHEMBL7574697 0.78 ALOX15 (0.66) ALOX15STSMAPTHTTADCY1
SCHEMBL12357035 0.77 LMNA (0.39) ALOX15STSMAPTHTTTBK1
SCHEMBL11554491 0.76 ALOX15 (0.46) ALOX15STSMAPTHTTADCY1
SCHEMBL5557517 0.75 ALDH1A1 (0.63) MAPTHTTTNKSPARP1TNKS2
SCHEMBL12867892 0.75 ALOX15 (0.57) ALOX15STSMAPTHTTTNKS

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-2021085372-A1 RESIN COMPOSITION, COMPOUND (Z), OPTICAL FILTER, AND USE THEREOF JSR株式会社 2021-05-06 — — WO disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 — — US disclosed
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