SCHEMBL14639635

SCHEMBL14639635

CC(=O)N1CCC(C(=O)Nc2ccccc2Oc2cc(CI)cc(CI)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL14639718 0.93 GAA (0.48) GAAPKMPOLBKMT2AACHE
SCHEMBL642196 0.84 GAA (0.56) GAAPKMPOLBKMT2AACHE
SCHEMBL643168 0.81 GAA (0.60) GAAPKMPOLBKMT2AACHE
SCHEMBL9965416 0.78 GAA (0.57) GAAPKMPOLBKMT2AACHE
SCHEMBL641303 0.78 GAA (0.57) GAAPKMPOLBKMT2AACHE
SCHEMBL640994 0.76 ACHE (0.51) GAAPKMPOLBKMT2AACHE
SCHEMBL9965426 0.76 GAA (0.56) GAAPKMPOLBKMT2AACHE
SCHEMBL13067957 0.74 PARP1 (0.47) GAAPKMPOLBKMT2AMGLL
SCHEMBL13028221 0.74 GAA (0.48) GAAPKMPOLBKMT2AACHE
SCHEMBL9965428 0.73 GAA (0.53) GAAPKMPOLBKMT2AACHE

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-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed