SCHEMBL9243444

SCHEMBL9243444

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL9243441 0.83 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL9133694 0.75 ALOX15 (0.43) ALDH1A1HPGDALOX15HSD17B10TP53
SCHEMBL8919988 0.74 HPGD (0.42) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL8921644 0.73 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL9133737 0.73 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL9131341 0.72 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10NPSR1
SCHEMBL9132104 0.68 ALDH1A1 (0.65) ALDH1A1HPGDALOX15HSD17B10TP53
SCHEMBL11199209 0.66 LGMN (0.55) ALDH1A1HSD17B10NPSR1TP53MAPT
SCHEMBL8921445 0.66 HPGD (0.62) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL8921982 0.66 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10MAPT

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