SCHEMBL10515797

SCHEMBL10515797

CN(C)c1ccc(CC(=O)O)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ MYC P01106 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ LRP6 O75581 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ DKK1 O94907 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL23241447 0.81 RXRA (0.49) ALDH1A1KDM4EGAAL3MBTL1SRC
SCHEMBL30966772 0.80 SLC16A3 (0.50) SLC16A3ALDH1A1KDM4EMYCMEN1
SCHEMBL8646935 0.77 SLC16A3 (0.51) SLC16A3ALDH1A1KDM4EL3MBTL1MYC
SCHEMBL1821912 0.77 SRC (0.59) ALDH1A1KDM4EGAASRCMEN1
SCHEMBL5535026 0.76 G6PD (0.49) ALDH1A1GAAL3MBTL1SRCMEN1
SCHEMBL16227423 0.76 POLQ (0.52) —
SCHEMBL7601521 0.75 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL41899 0.75 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL3255867 0.75 SLC16A3 (0.43) SLC16A3ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL3305470 0.75 SLC16A3 (0.43) SLC16A3ALDH1A1KDM4EMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299663-A2 Antihistaminic aromatic tetrahydroazepinones (and thiones) A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1989-01-18 — — EP disclosed
US-4746657-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1988-05-24 — — US disclosed
US-4335129-A ANALGESIC, ANTIINFLAMMATORY YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1982-06-15 — — US disclosed
US-4329455-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-05-11 — — US disclosed
US-4163844-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1979-08-07 — — US disclosed
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