SCHEMBL7958261

SCHEMBL7958261

CC(C)(C)c1ccc(Oc2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2)cc1.[NaH]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.72
▸ NCOA3 Q9Y6Q9 3/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ MITF O75030 2/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ AKR1B1 P15121 6/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ CISD1 Q9NZ45 2/20 0.64
▸ MAOA P21397 1/20 0.64
▸ PTPN1 P18031 3/20 0.61
▸ MMP3 P08254 1/20 0.61
▸ MMP13 P45452 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ HTT P42858 1/20 0.61
▸ TAS2R14 Q9NYV8 2/20 0.60
▸ PTPN2 P17706 1/20 0.59
▸ KLKB1 P03952 1/20 0.57
▸ FABP4 P15090 1/20 0.56

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
SCHEMBL7958266 1.00 MAPT (0.72) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL15400058 0.93 CISD1 (0.74) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL15400060 0.93 CISD1 (0.74) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL12008437 0.93 CISD1 (0.74) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL7958513 0.90 AKR1B1 (0.67) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL7958515 0.90 AKR1B1 (0.67) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL7958264 0.89 MAPT (0.59) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL6884331 0.87 AKR1B1 (0.82) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL6884328 0.87 AKR1B1 (0.82) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL12008457 0.86 FFAR1 (0.74) MAPTNCOA3ALDH1A1MITFRAB9A

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-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 — — US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 — — EP disclosed
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