SCHEMBL10885494

SCHEMBL10885494

O=C(CCSCCC(=O)CC(=O)c1ccccc1)CC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ CES1 P23141 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PTPN1 P18031 2/20 0.52
▸ ERCC5 P28715 1/20 0.52
▸ FEN1 P39748 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ PLOD2 O00469 2/20 0.48
▸ PLOD3 O60568 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL9622180 0.88 CYP2C19 (0.62) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL28667334 0.84 CYP3A4 (0.56) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL10916871 0.82 MAPT (0.52) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL11801841 0.82 TDP1 (0.67) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL1977011 0.81 KMT2A (0.80) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL8845796 0.80 TDP1 (0.69) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL28422311 0.80 TDP1 (0.64) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL6563638 0.80 ALDH1A1 (0.74) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL10886619 0.80 KMT2A (0.64) MAPTMEN1CYP3A4HPGDKMT2A
SCHEMBL9185052 0.80 CES1 (0.48) MAPTMEN1CYP3A4HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046161-B1 STABILIZED POLYVINYLHALIDE RESIN PHOENIX CHEMICAL CORPORATION (US) 1986-11-12 — — EP disclosed
US-4371651-A PHOTOSTABILITY, HEAT RESISTANCE PHOENIX CHEMICAL CORPORATION (US) 1983-02-01 — — US disclosed
EP-0046161-A2 Stabilized Polyvinylhalide resin PHOENIX CHEMICAL CORPORATION (US) 1982-02-24 — — EP disclosed
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