SCHEMBL8953590

SCHEMBL8953590

CN(C)c1ccc(CC(O)C(=O)OC(Cc2ccc(N(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
ACE P12821 1/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 8/20 0.40
PPARG P37231 7/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SRR Q9GZT4 3/20 0.40
ACACB O00763 1/20 0.39
PSAT1 Q9Y617 1/20 0.39

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
SCHEMBL8953411 0.86 NPY1R (0.47) ALDH1A1KMT2AMAPTACEPPARA
SCHEMBL8323546 0.82 SLC7A5 (0.49) ACEPPARAPPARGSRRPSAT1
SCHEMBL28278431 0.82 SRR (0.59) ACEPPARAPPARGSRR
SCHEMBL352986 0.82 SRR (0.59) ACEPPARAPPARGSRR
SCHEMBL472283 0.81 KDM6B (0.51) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL8953579 0.81 KDM6B (0.51) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL7510302 0.81 KDM6B (0.51) ALDH1A1KMT2AHPGDMAPTGAA
SCHEMBL8361809 0.81 SRR (0.46) ACEPPARAPPARGSRRPSAT1
SCHEMBL8953447 0.81 PPARG (0.54) ACEPPARAPPARGSRRPSAT1
SCHEMBL8953769 0.80 PPARA (0.58) PPARAPPARG

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