SCHEMBL8388127

SCHEMBL8388127

CC(=O)c1cn(Cc2ccccc2)c2cc(CC(=O)O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ SLC22A12 Q96S37 8/20 0.58
▸ SERPINE1 P05121 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CREBBP Q92793 1/20 0.50
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NOD2 Q9HC29 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
SCHEMBL27555299 0.88 POLB (0.55) POLBSLC22A12SERPINE1L3MBTL1ALDH1A1
SCHEMBL8390400 0.86 ADORA1 (0.54) SLC22A12SERPINE1KDM4EALDH1A1ADORA1
SCHEMBL8602152 0.84 SLC22A12 (0.78) SLC22A12KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11976676 0.83 SLC22A12 (0.73) POLBSLC22A12SERPINE1KDM4EALDH1A1
SCHEMBL30049353 0.82 POLB (0.79) POLBL3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL17324721 0.82 POLB (0.79) POLBL3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL9056108 0.80 LMNA (0.55) POLBSERPINE1L3MBTL1ALDH1A1MAPK1
SCHEMBL8389104 0.80 ALDH1A1 (0.55) SLC22A12SERPINE1KDM4EALDH1A1HPGD
SCHEMBL16259052 0.79 POLB (0.53) POLBSERPINE1L3MBTL1ALDH1A1MAPK1
SCHEMBL27555301 0.77 L3MBTL1 (0.53) POLBSERPINE1L3MBTL1ALDH1A1MAPK1

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-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 — — US disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 — — WO disclosed
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