SCHEMBL9216665

SCHEMBL9216665

O=C(NCC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
PREP P48147 2/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FKBP1A P62942 2/20 0.44
MCHR1 Q99705 1/20 0.42
EPHX1 P07099 1/20 0.42
OPRK1 P41145 1/20 0.41

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
SCHEMBL28943687 0.81 PREP (0.51) ALDH1A1PREPOPRK1
SCHEMBL1816285 0.81 PREP (0.51) ALDH1A1PREPOPRK1
SCHEMBL2084087 0.79 PREP (0.49) PREP
SCHEMBL1189714 0.78 PREP (0.50) ALDH1A1PREPFKBP1AOPRK1
SCHEMBL5900915 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AEPHX1
SCHEMBL1816147 0.77 PREP (0.49) ALDH1A1PREPOPRK1
SCHEMBL17293555 0.77 PREP (0.49) ALDH1A1PREPOPRK1
SCHEMBL2084143 0.76 PREP (0.47) ALDH1A1PREP
SCHEMBL2084231 0.76 PREP (0.48) ALDH1A1PREPOPRK1
SCHEMBL24555463 0.75 PREP (0.48) ALDH1A1PREPOPRK1

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
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed