SCHEMBL16977972

SCHEMBL16977972

CSSc1cc(C(C)(C)C)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ ALOX15 P16050 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ GAA P10253 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ PKM P14618 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ CYP2D6 P10635 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 3/20 0.40
▸ TYR P14679 2/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ HDAC4 P56524 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
SCHEMBL15195988 0.90 ALDH1A1 (0.61) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL9643594 0.84 ALDH1A1 (0.59) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL496753 0.82 ALDH1A1 (0.61) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL16977970 0.77 GABRA1 (0.40) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL10503140 0.76 ALDH1A1 (0.53) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL11555907 0.73 MAPT (0.50) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL10709819 0.72 ALDH1A1 (0.59) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29358687 0.72 ALDH1A1 (1.00) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL50705 0.72 ALDH1A1 (1.00) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL11102519 0.72 ESR1 (0.44) ALDH1A1ALOX15HPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150217602-A1 CORD RUBBERIZED IN SITU COMPRISING A COMPOSITION CONTAINING AN ORGANIC POLYSULPHIDE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2015-08-06 — — US disclosed
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