SCHEMBL11017951

SCHEMBL11017951

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NC3CCCC(C)C3C)c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 8/20 0.51
▸ TAS1R1 Q7RTX1 8/20 0.51
▸ TAS1R2 Q8TE23 7/20 0.51
▸ DPP4 P27487 3/20 0.50
▸ ANPEP P15144 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39

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
SCHEMBL11019031 0.83 DPP4 (0.56) DPP4ANPEPL3MBTL1RAB9AKMT2A
SCHEMBL11017926 0.81 DPP4 (0.64) DPP4ANPEPKMT2AMEN1NR1H2
SCHEMBL11019780 0.80 DPP4 (0.62) DPP4ANPEPKMT2AMEN1NR1H2
SCHEMBL11021461 0.79 DPP4 (0.64) DPP4ANPEPKMT2AALDH1A1CYP1A2
SCHEMBL11017368 0.78 DPP4 (0.62) DPP4ANPEPKMT2AALDH1A1NR1H2
SCHEMBL11021879 0.77 DPP4 (0.61) DPP4ANPEPKMT2AALDH1A1NR1H2
SCHEMBL11019208 0.76 DPP4 (0.55) DPP4ANPEPKMT2AALDH1A1MEN1
SCHEMBL11019058 0.76 DPP4 (0.52) DPP4ANPEPKMT2AALDH1A1KDM4E
SCHEMBL11016329 0.76 DPP4 (0.60) DPP4ANPEPKMT2AALDH1A1MEN1
SCHEMBL11019498 0.76 DPP4 (0.60) DPP4ANPEPKMT2AMEN1NR1H2

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
EP-0152021-A2 Phthalimide derivatives, their preparation and their use as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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