SCHEMBL8388141

SCHEMBL8388141

Cc1c(C)n(Cc2ccccc2)c2cc(CC(=O)O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ PLA2G2A P14555 5/20 0.53
▸ PLA2G1B P04054 1/20 0.52
▸ SLC22A12 Q96S37 5/20 0.51
▸ FABP4 P15090 1/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.49
▸ PPARG P37231 1/20 0.48

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
SCHEMBL4506807 0.82 PPARG (0.61) ALDH1A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8386934 0.82 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10HDAC3
SCHEMBL8386913 0.81 HDAC3 (0.56) ALDH1A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL9056975 0.78 PLA2G2A (0.56) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL7963412 0.77 PLA2G2A (0.65) ALDH1A1PLA2G2APLA2G1BPTGDR2
SCHEMBL12398081 0.77 TDP1 (0.63) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL2002870 0.76 PLA2G2A (0.82) ALDH1A1KDM4EPLA2G2APLA2G1BPTGDR2
SCHEMBL11289374 0.76 CYP19A1 (0.66) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL8391190 0.76 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10HDAC3
SCHEMBL8602152 0.76 SLC22A12 (0.78) ALDH1A1KDM4EHPGDHSD17B10HDAC1

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 3 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
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 — — EP 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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