SCHEMBL8953579

SCHEMBL8953579

CN(C)c1ccc(CC(O)C(=O)O)cc1.CN(C)c1ccc(CC(O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.51
ALDH1A1 P00352 8/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACACB O00763 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL7510302 1.00 KDM6B (0.51) KDM6BALDH1A1KMT2AGAAL3MBTL1
SCHEMBL472283 1.00 KDM6B (0.51) KDM6BALDH1A1KMT2AGAAL3MBTL1
SCHEMBL10595550 0.85 LDHA (0.56) ALDH1A1KMT2AGAAL3MBTL1TSHR
SCHEMBL10891346 0.84 KDM6B (0.67) KDM6BTSHRLMNAALBESR1
SCHEMBL7513061 0.82 MEN1 (0.52) KDM6BALDH1A1KMT2ATSHRCYP3A4
SCHEMBL8953404 0.82 MEN1 (0.52) KDM6BALDH1A1KMT2ATSHRCYP3A4
SCHEMBL10830533 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AL3MBTL1MAPK1ACACB
SCHEMBL9424243 0.81 HDAC1 (0.58) ALDH1A1KMT2AGAAL3MBTL1TSHR
SCHEMBL8953590 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AGAAL3MBTL1TSHR
SCHEMBL599748 0.80 SLC7A5 (0.62) ALDH1A1KMT2ACYP3A4TDP1ACACB

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-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed