SCHEMBL29679571

SCHEMBL29679571

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.49
LAP3 P28838 3/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC7A5 Q01650 1/20 0.47
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
LTA4H P09960 1/20 0.44
FOLH1 Q04609 2/20 0.43
MME P08473 4/20 0.43

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
SCHEMBL30193409 0.97 ALDH1A1 (0.53) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL9551443 0.97 ALDH1A1 (0.53) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL27903156 0.97 ALDH1A1 (0.53) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL9551440 0.94 SLC7A5 (0.47) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL10621390 0.94 SLC7A5 (0.47) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL30543983 0.94 ALDH1A1 (0.56) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL2722882 0.94 ALDH1A1 (0.56) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL1019805 0.94 ALDH1A1 (0.56) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL1021759 0.94 ALDH1A1 (0.56) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL2722888 0.94 ALDH1A1 (0.56) ALDH1A1MAPTLAP3MEN1LMNA

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-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 WO disclosed