SCHEMBL10752292

SCHEMBL10752292

CCC(C(=O)O)C(=O)N(CCC(=O)OC)Cc1ccc(N(C=O)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ PTGES O14684 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ REN P00797 1/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL10973111 0.85 HDAC6 (0.39) HDAC6TDP1OPRM1OPRD1ALDH1A1
SCHEMBL10752287 0.79 MEN1 (0.44) LMNA
SCHEMBL10757422 0.77 ITGB3 (0.37) HDAC6TDP1PTGESALDH1A1KDM4E
SCHEMBL10749977 0.74 MC4R (0.44) TDP1ALDH1A1LMNA
SCHEMBL10753221 0.74 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL7304372 0.68 CYP1A2 (0.44) HDAC6ALDH1A1LMNA
SCHEMBL6936315 0.67 TSHR (0.41) TDP1ALDH1A1
SCHEMBL14861373 0.67 TDP1 (0.48) HDAC6TDP1OPRM1OPRD1ALDH1A1
SCHEMBL27478897 0.66 TSHR (0.34) TDP1ALDH1A1
SCHEMBL2226376 0.66 SMN1; SMN2 (0.51) TDP1ALDH1A1LMNAREN

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-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 — — US disclosed
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