SCHEMBL27460974

SCHEMBL27460974

C[C@H](NC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CC[CH]CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.63
ITGA2B P08514 7/20 0.63
PREP P48147 2/20 0.38
FAP Q12884 2/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
ANPEP P15144 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL8650532 1.00 ITGB3 (0.63) ITGB3ITGA2BPREPFAPCA2
SCHEMBL5144245 0.86 ITGB3 (0.71) ITGB3ITGA2BPREPFAPSMYD3
SCHEMBL4434863 0.86 ITGB3 (0.71) ITGB3ITGA2BPREPFAPSMYD3
SCHEMBL8649064 0.86 ITGB3 (0.71) ITGB3ITGA2BPREPFAPSMYD3
SCHEMBL8648337 0.84 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL8647567 0.81 MEN1 (0.51) ITGB3ITGA2B
SCHEMBL8377742 0.79 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL8648096 0.79 ITGB3 (0.70) ITGB3ITGA2BPREPFAPSMYD3
SCHEMBL27402980 0.78 ITGB3 (0.52) ITGB3ITGA2BCA2CA1
SCHEMBL24336750 0.78 ITGB3 (0.72) ITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1075062-C Acetic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 CN claimed
CN-1075062-C Acetic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 CN disclosed
CN-1112104-A Acetic acid derivatives HOFFMANN LA ROCHE (CH) 1995-11-22 CN disclosed