SCHEMBL10757422

SCHEMBL10757422

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.37
▸ ITGAV P06756 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PPIB P23284 1/20 0.34
▸ PPIA P62937 1/20 0.34
▸ PPID Q08752 1/20 0.34
▸ PPIG Q13427 1/20 0.34
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.33
▸ ITGB1 P05556 2/20 0.33
▸ ITGA5 P08648 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL10749977 0.84 MC4R (0.44) TDP1MAPTALDH1A1LMNAKMT2A
SCHEMBL10972161 0.80 USP2 (0.40) TDP1MAPTALDH1A1KDM4ELMNA
SCHEMBL10753221 0.79 ALDH1A1 (0.48) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL10752287 0.79 MEN1 (0.44) MAPTLMNAMEN1KMT2A
SCHEMBL10752292 0.77 HDAC6 (0.37) TDP1ALDH1A1KDM4ELMNAHDAC1
SCHEMBL10757418 0.74 LMNA (0.39) ITGB3ITGAVTDP1ALDH1A1KDM4E
SCHEMBL18068879 0.69 CETP (0.43) ITGB3ITGAVTDP1MAPTALDH1A1
SCHEMBL24073242 0.69 ALDH1A1 (0.46) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL1351101 0.68 TSHR (0.48) TSHR
SCHEMBL10531431 0.68 MAPT (0.47) ITGB3ITGAVMAPTALDH1A1LMNA

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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