SCHEMBL9150817

SCHEMBL9150817

CCC(=O)c1ccc(OC(=O)Nc2cccc(O)c2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.48
▸ PLK3 Q9H4B4 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ KMT2A Q03164 5/20 0.42
▸ ELANE P08246 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ THRB P10828 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL9151339 0.86 STS (0.47) PLK1PLK3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9151062 0.85 ALDH1A1 (0.53) PLK1PLK3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8653617 0.83 KMT2A (0.45) PLK1PLK3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8654626 0.83 GAA (0.56) PLK1PLK3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8655082 0.83 TRPV1 (0.55) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL9150855 0.81 MEN1 (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8654717 0.81 MEN1 (0.51) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL9150911 0.80 FAAH (0.62) PLK1PLK3KMT2AMEN1GAA
SCHEMBL9147350 0.80 MAPT (0.56) PLK1PLK3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9150336 0.80 KMT2A (0.42) PLK1PLK3ALDH1A1RAB9ASMN1; SMN2

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 — — US disclosed
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