SCHEMBL10565889

SCHEMBL10565889

CC(=O)Nc1ccc(C(=O)OC(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ CACNA1B Q00975 1/20 0.69
▸ APBA1 Q02410 1/20 0.69
▸ NAPRT Q6XQN6 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ RECQL P46063 2/20 0.60
▸ RAB9A P51151 7/20 0.59
▸ MAPT P10636 6/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ POLB P06746 3/20 0.59
▸ TAAR1 Q96RJ0 1/20 0.59
▸ HTT P42858 2/20 0.57
▸ GAA P10253 2/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ MEN1 O00255 2/20 0.54

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
SCHEMBL10565877 0.93 KMT2A (0.60) ALDH1A1L3MBTL1CACNA1BAPBA1NAPRT
SCHEMBL9724004 0.86 KMT2A (0.71) ALDH1A1L3MBTL1HSD17B10RECQLRAB9A
SCHEMBL11327261 0.83 L3MBTL1 (0.79) ALDH1A1L3MBTL1CACNA1BAPBA1NAPRT
SCHEMBL1851249 0.83 ALDH1A1 (1.00) ALDH1A1L3MBTL1CACNA1BAPBA1NAPRT
SCHEMBL2159024 0.83 KMT2A (0.72) ALDH1A1L3MBTL1CACNA1BAPBA1NAPRT
SCHEMBL11414849 0.81 KMT2A (0.66) ALDH1A1L3MBTL1HSD17B10RECQLMAPT
SCHEMBL863168 0.81 MEN1 (0.69) ALDH1A1L3MBTL1HSD17B10RECQLRAB9A
SCHEMBL29011329 0.81 CYP2C9 (0.61) ALDH1A1L3MBTL1CACNA1BAPBA1NAPRT
Acetic Acid SCHEMBL777098 0.80 TSHR (0.62) ALDH1A1L3MBTL1NAPRTHSD17B10MAPT
SCHEMBL8717537 0.80 LMNA (0.67) ALDH1A1L3MBTL1NAPRTHSD17B10MAPT

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-4804661-A ANALGESICS CIBA-GEIGY CORPORATION (US) 1989-02-14 — — US disclosed
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