SCHEMBL5011344

SCHEMBL5011344

Cc1cccc(N2CCN(CC(=O)O)CC2)c1C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
GAA P10253 1/20 0.67
ALDH1A1 P00352 7/20 0.63
KMT2A Q03164 5/20 0.61
MAPT P10636 5/20 0.61
MEN1 O00255 4/20 0.61
REV1 Q9UBZ9 1/20 0.61
LMNA P02545 6/20 0.59
ALOX15 P16050 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 5/20 0.57
MAPK1 P28482 2/20 0.57
NPC1 O15118 1/20 0.57
NPSR1 Q6W5P4 2/20 0.55
ABCB1 P08183 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.53

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
SCHEMBL3436276 0.89 ATM (0.56) HPGDGAAALDH1A1KMT2AMAPT
SCHEMBL2113444 0.87 ALDH1A1 (0.64) HPGDGAAALDH1A1KMT2AMAPT
SCHEMBL8510525 0.87 GAA (0.51) HPGDGAAALDH1A1KMT2AMAPT
SCHEMBL3849870 0.86 LMNA (0.54) HPGDGAAALDH1A1KMT2AMAPT
SCHEMBL5009458 0.84 ALDH1A1 (0.61) HPGDGAAALDH1A1KMT2AMAPT
SCHEMBL9052673 0.82 GAA (0.60) HPGDGAAALDH1A1KMT2AMAPT
SCHEMBL11067105 0.81 ADRB1 (0.74) HPGDGAAALDH1A1KMT2AMAPT
SCHEMBL8759118 0.81 ALDH1A1 (0.77) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL13087951 0.80 GAA (0.65) HPGDGAAALDH1A1KMT2AMAPT
SCHEMBL11808012 0.79 ALDH1A1 (0.67) HPGDGAAALDH1A1KMT2AMAPT

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
WO-2022118966-A1 AGENT FOR PROMOTING NUCLEIC ACID MOLECULE UPTAKE INTO CELLS, PHARMACEUTICAL COMPOSITION, AND NOVEL COMPOUND 国立大学法人京都大学 2022-06-09 WO disclosed
WO-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO disclosed