SCHEMBL11577728

SCHEMBL11577728

C=CC(=O)Oc1ccc2cc3ccccc3cc2c1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TYMS P04818 1/20 0.39
▸ THRB P10828 4/20 0.38
▸ THRA P10827 1/20 0.38

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
SCHEMBL15302774 0.84 TYMS (0.48) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL29499560 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL22978737 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL561617 0.83 TYMS (0.45) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL29733364 0.82 TYMS (0.44) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL29733295 0.82 TYMS (0.44) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL29733319 0.82 TYMS (0.44) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL27722932 0.81 TYMS (0.43) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL17102366 0.79 TYMS (0.42) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL12245559 0.79 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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-4067857-A Polyester catalyst system comprising an antimony-containing polycondensation catalyst and an ethylenically unsaturated compound and process employing same STAUFFER CHEMICAL COMPANY (US) 1978-01-10 — — US disclosed
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