SCHEMBL9243441

SCHEMBL9243441

CCOC(C)OC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)c[nH]c2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL9243444 0.83 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL9133694 0.73 ALOX15 (0.43) ALDH1A1HPGDALOX15HSD17B10TP53
SCHEMBL8919988 0.73 HPGD (0.42) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL8921644 0.71 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL9133737 0.71 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL9131341 0.68 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL8921445 0.65 HPGD (0.62) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL8921982 0.64 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL8923331 0.64 HPGD (0.56) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL12149436 0.64 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2MAPTMEN1

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
US-5414082-A Anticonvulsants ARZNEIMITTELWERK DRESDEN GMBH (DE) 1995-05-09 US disclosed