SCHEMBL3873046

SCHEMBL3873046

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRD1 P41143 3/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
LAP3 P28838 3/20 0.40
CTSB P07858 1/20 0.40
MME P08473 1/20 0.39
FOLH1 Q04609 2/20 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
SCHEMBL30808873 0.99 ALDH1A1 (0.46) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL3221173 0.97 OPRD1 (0.43) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL6367826 0.89 OPRM1 (0.44) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL6367814 0.89 OPRM1 (0.44) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL8017457 0.88 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL1674750 0.88 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL1674751 0.88 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL15757059 0.88 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL19967700 0.88 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL18613505 0.88 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040758-A2 BIORESPONSIVE POLYMERS Interface Biologics Inc. (CA) 2009-04-01 EP disclosed
WO-2008053362-A2 BIORESPONSIVE POLYMERS INTERFACE BIOLOGICS, INC. (CA) 2008-05-08 WO disclosed