SCHEMBL8577242

SCHEMBL8577242

CC(=O)Nc1ccc(SCCC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.71
▸ RAB9A P51151 4/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ KDM4E B2RXH2 1/20 0.54
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CA12 O43570 1/20 0.47

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
SCHEMBL414342 0.92 RAB9A (0.72) GAARAB9ANPC1KDM4EUSP2
SCHEMBL9518238 0.88 GAA (0.71) GAARAB9ANPC1KDM4EUSP2
SCHEMBL11841835 0.83 GAA (0.65) GAARAB9ANPC1KDM4EUSP2
SCHEMBL11002802 0.83 GAA (1.00) GAARAB9ANPC1USP2ALDH1A1
SCHEMBL8685308 0.81 GAA (0.63) GAARAB9ANPC1KDM4EUSP2
SCHEMBL464521 0.80 RAB9A (0.65) GAARAB9ANPC1USP2ALDH1A1
SCHEMBL11388934 0.80 RAB9A (0.65) GAARAB9ANPC1USP2ALDH1A1
SCHEMBL9221638 0.80 MTNR1A (0.68) GAARAB9ANPC1USP2ALDH1A1
SCHEMBL7862173 0.80 KMT2A (0.62) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6033907 0.79 GAA (0.69) GAARAB9ANPC1KDM4EUSP2

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
WO-2012107262-A1 DIHYDROBENZOPYRAN, THIOCHROMAN, TETRAHYDROQUINOLEINE AND TETRAHYDRONAPHTALENE DERIVATIVES AND THEIR USE IN ANTICANCER THERAPY UNIVERSITE DE LIEGE (BE) 2012-08-16 — — WO disclosed
WO-1998009969-A1 NOVEL ARYL-PYRIDAZINES ASTRA PHARMACEUTICALS LTD. (GB) 1998-03-12 — — WO disclosed
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