SCHEMBL8812110

SCHEMBL8812110

CC(C)C[C@H](CN[C@H]1CCOC1O)NC(=O)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.46
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
ALPL P05186 1/20 0.41
GAA P10253 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
SCHEMBL8809572 0.84 CAPN1 (0.50) CAPN1
SCHEMBL8812109 0.82 CAPN1 (0.65) CAPN1ALDH1A1
SCHEMBL8812117 0.82 CAPN1 (0.65) CAPN1ALDH1A1
SCHEMBL8807780 0.81 TAS1R3 (0.46) CAPN1LMNAALDH1A1
SCHEMBL8807996 0.81 CAPN1 (0.50) CAPN1GAA
SCHEMBL8408032 0.81 CAPN1 (0.51) CAPN1
SCHEMBL8407418 0.80 CAPN1 (0.47) CAPN1LMNATP53
SCHEMBL8809095 0.80 CAPN1 (0.50) CAPN1LMNAALDH1A1
SCHEMBL8810535 0.80 CAPN1 (0.52) CAPN1ALDH1A1
SCHEMBL8404255 0.80 HTT (0.46) CAPN1LMNAALDH1A1

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-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed