SCHEMBL10031823

SCHEMBL10031823

CC(C)(C)C(=O)c1cc2cc(C(C)(C)C)ccc2cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ RARB P10826 2/20 0.34
▸ RARG P13631 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC1 Q13547 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
SCHEMBL11116618 0.84 NR1I2 (0.44) NR1I2TDP1ALDH1A1HPGDALOX15
SCHEMBL269659 0.77 ACHE (0.46) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5071888 0.75 ALDH1A1 (0.52) NR1I2TDP1ALDH1A1HPGDALOX15
SCHEMBL1110448 0.73 HSD17B10 (0.47) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL8645226 0.73 HSD17B10 (0.47) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL3418351 0.73 ALDH1A1 (0.48) NR1I2TDP1ALDH1A1HPGDALOX15
SCHEMBL29438045 0.73 ALDH1A1 (0.48) NR1I2TDP1ALDH1A1HPGDALOX15
SCHEMBL29447635 0.73 ALDH1A1 (0.48) NR1I2TDP1ALDH1A1HPGDALOX15
SCHEMBL29438049 0.73 ALDH1A1 (0.48) NR1I2TDP1ALDH1A1HPGDALOX15
SCHEMBL983124 0.73 ALDH1A1 (0.48) NR1I2TDP1ALDH1A1HPGDALOX15

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
US-8206893-B2 Photoimageable branched polymer BREWER SCIENCE INC. (US) 2012-06-26 — — US disclosed
US-20090111057-A1 PHOTOIMAGEABLE BRANCHED POLYMER BREWER SCIENCE INC. 2009-04-30 — — US disclosed
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