Sugi Predict

Sugi Predict / Compounds / SCHEMBL9609008

SCHEMBL9609008

SCHEMBL9609008

N[C@H]1C=CCC2CC[C@@H](C(=O)OCc3ccccc3)N2C1=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 9/20 0.48
▸ CASP1 P29466 1/20 0.41
▸ PREP P48147 1/20 0.41
▸ FABP7 O15540 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ELANE P08246 3/20 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
SCHEMBL1300469 0.89 FKBP1A (0.48) FKBP1ACASP1FABP7FABP5HPGD
SCHEMBL1300466 0.89 FKBP1A (0.48) FKBP1ACASP1FABP7FABP5HPGD
SCHEMBL1300468 0.89 FKBP1A (0.48) FKBP1ACASP1FABP7FABP5HPGD
SCHEMBL12898945 0.84 FKBP1A (0.48) FKBP1ACASP1HPGDELANE
SCHEMBL12109076 0.82 FKBP1A (0.46) FKBP1APREPCYP2C19SMN1; SMN2ELANE
SCHEMBL30527653 0.81 FKBP1A (0.60) FKBP1ACASP1
SCHEMBL9609059 0.79 KMT2A (0.43) FKBP1ACASP1
SCHEMBL3724400 0.79 KMT2A (0.43) FKBP1ACASP1
SCHEMBL31384865 0.79 FKBP1A (0.50) FKBP1ACASP1
SCHEMBL28341739 0.77 FKBP1A (0.50) FKBP1AFABP7FABP5HPGD

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-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed