SCHEMBL30099552

SCHEMBL30099552

C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ECE1 P42892 1/20 0.40
TERT O14746 1/20 0.40
OPRD1 P41143 9/20 0.39
OPRM1 P35372 4/20 0.39
OPRK1 P41145 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
PTGS1 P23219 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
DPP4 P27487 1/20 0.37
GLO1 Q04760 1/20 0.36

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
SCHEMBL30099553 1.00 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30546898 1.00 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29454351 0.97 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30637048 0.95 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30585206 0.92 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30585204 0.92 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30585205 0.92 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL32680129 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL3268775 0.90 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2476602 0.90 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1

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
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 WO disclosed