SCHEMBL11019037

SCHEMBL11019037

C=CCc1cccc(CC)c1N1C(=O)c2cccc(C(=O)O)c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.56
▸ ANPEP P15144 3/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ TYMS P04818 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL11017039 0.92 DPP4 (0.47) DPP4ANPEPCTDSP1TYMSALDH1A1
SCHEMBL11022146 0.90 DPP4 (0.68) DPP4ANPEPCTDSP1CRHBPCRHR2
SCHEMBL11017190 0.90 DPP4 (0.46) DPP4ANPEPCTDSP1TYMSALDH1A1
SCHEMBL11018664 0.90 DPP4 (0.55) DPP4ANPEPCTDSP1CRHBPCRHR2
SCHEMBL11021513 0.89 DPP4 (0.48) DPP4ANPEPCTDSP1CRHBPCRHR2
SCHEMBL11020520 0.88 DPP4 (0.53) DPP4ANPEPCRHBPCRHR2ALDH1A1
SCHEMBL11018003 0.88 DPP4 (0.53) DPP4ANPEPCRHBPCRHR2TYMS
SCHEMBL11019052 0.87 DPP4 (0.51) DPP4ANPEPCTDSP1TYMSALDH1A1
SCHEMBL11017365 0.85 CTDSP1 (0.43) DPP4ANPEPCTDSP1TYMSALDH1A1
SCHEMBL11019263 0.84 DPP4 (0.60) DPP4ANPEPCTDSP1CRHBPCRHR2

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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