SCHEMBL24650385

SCHEMBL24650385

COc1cc2c(cc1OCCC(=O)O)CC(N)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.41
PPARA Q07869 1/20 0.40
PDE4B Q07343 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL24650743 0.93 TSHR (0.44) LMNAALDH1A1PPARAPDE4BPDE4D
SCHEMBL24650399 0.89 ACHE (0.41) LMNAKMT2ACYP3A4PTGDR2HSD17B10
SCHEMBL24650749 0.87 KMT2A (0.41) LMNAALDH1A1PDE4BCA1CA2
SCHEMBL24650997 0.85 POLB (0.49) LMNAALDH1A1CA1CA2KMT2A
SCHEMBL24650406 0.84 FYN (0.49) LMNAALDH1A1CA1CA2MAPT
SCHEMBL24650744 0.84 PDE4B (0.47) ALDH1A1PDE4BKMT2APDE4DCYP3A4
SCHEMBL24650754 0.83 MAPT (0.46) ALDH1A1PDE4BCA1CA2KMT2A
SCHEMBL24650737 0.82 TSHR (0.44) ALDH1A1KMT2ACYP3A4PTGDR2HSD17B10
SCHEMBL24651156 0.81 LMNA (0.43) LMNAPPARACA1CA2PTGDR2
SCHEMBL24650410 0.80 PDE4B (0.53) ALDH1A1PDE4BKMT2APDE4D

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed