SCHEMBL5339625

SCHEMBL5339625

CCC(CC)(Nc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL11321208 0.80 MAPT (0.42) KMT2AGAASMN1; SMN2RAB9ANPC1
SCHEMBL19707851 0.79 KMT2A (0.45) KMT2AGAASMN1; SMN2RAB9ANPC1
SCHEMBL22769142 0.75 SAE1 (0.44) KMT2AGAASMN1; SMN2RAB9AL3MBTL1
SCHEMBL27469291 0.74 HPGD (0.47) KMT2AGAARAB9ANPC1L3MBTL1
SCHEMBL7960771 0.74 GPR88 (0.53) KMT2AGAARAB9AMEN1MAPT
SCHEMBL4332921 0.73 KMT2A (0.41) KMT2AGAASMN1; SMN2RAB9ANPC1
SCHEMBL6475227 0.73 LMNA (0.42) KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL19324983 0.73 GAA (0.55) KMT2AGAASMN1; SMN2RAB9ANPC1
SCHEMBL28355844 0.72 PTGS2 (0.46) KMT2AGAASMN1; SMN2RAB9ANPC1
SCHEMBL5510420 0.72 GAA (0.58) KMT2AGAASMN1; SMN2RAB9ANPC1

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-2007062316-A2 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR ANTI-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-31 WO disclosed