SCHEMBL13205997

SCHEMBL13205997

CCCC(C)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ HPGD P15428 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ GRM1 Q13255 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.51
▸ HSP90AB1 P08238 1/20 0.51
▸ MCL1 Q07820 3/20 0.48
▸ KAT8 Q9H7Z6 2/20 0.48
▸ CSNK2A1 P68400 1/20 0.47
▸ KLKB1 P03952 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ DNMT3B Q9UBC3 1/20 0.46

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
SCHEMBL27374196 0.88 KAT8 (0.57) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL3227231 0.88 KAT8 (0.57) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL3213862 0.87 KAT8 (0.56) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL5885088 0.87 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL30069220 0.87 HSD17B10 (0.50) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL15004741 0.87 HSD17B10 (0.50) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL10464281 0.81 KAT8 (0.55) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL19374907 0.79 TSHR (0.47) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2833452 0.79 KDM4E (0.62) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL1649282 0.79 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10KDM4ETDP1

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
WO-2010087430-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2010-08-05 — — WO disclosed
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