SCHEMBL6966679

SCHEMBL6966679

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(OC)CC1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.53
▸ CASP3 P42574 4/20 0.41
▸ MDM2 Q00987 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MDM4 O15151 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CFD P00746 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
SCHEMBL5205538 1.00 PIN1 (0.53) PIN1CASP3MDM2KMT2AMDM4
SCHEMBL5207070 1.00 PIN1 (0.53) PIN1CASP3MDM2KMT2AMDM4
SCHEMBL5205826 0.90 PIN1 (0.54) PIN1CASP3MDM2KMT2AMDM4
SCHEMBL6970042 0.89 PIN1 (0.53) PIN1CASP3MDM2KMT2AMDM4
SCHEMBL5206190 0.89 PIN1 (0.53) PIN1CASP3MDM2KMT2AMDM4
SCHEMBL5202706 0.89 PIN1 (0.53) PIN1CASP3MDM2KMT2AMDM4
SCHEMBL5207276 0.86 PIN1 (0.46) PIN1CASP3MDM2
SCHEMBL5204072 0.86 PIN1 (0.46) PIN1CASP3MDM2
SCHEMBL5207064 0.82 CYP3A4 (0.37) PIN1CASP3KMT2ACFD
SCHEMBL6966683 0.82 CYP3A4 (0.37) PIN1CASP3KMT2ACFD

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-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 — — EP disclosed
Send feedback