SCHEMBL20055697

SCHEMBL20055697

COC(=O)c1cc(NC(=O)[C@H](O)[C@@H](O)C(=O)NCC2C=CC=CC2)cc(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.39
RECQL P46063 1/20 0.38
PTPN11 Q06124 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL20055591 0.72 KMT2A (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL3780968 0.71 ALDH1A1 (0.56) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3780965 0.71 ALDH1A1 (0.56) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3780243 0.70 LMNA (0.52) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3780235 0.70 LMNA (0.52) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL20055626 0.70 KMT2A (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3787349 0.68 ALDH1A1 (0.49) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3789599 0.66 KMT2A (0.50) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3785243 0.66 KMT2A (0.50) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL14271233 0.65 HSD17B10 (0.71) LMNAHSD17B10ALDH1A1MEN1KMT2A

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
EP-2116526-B1 DERIVATES OF SUBSTITUTED TARTARIC AICD AND USAGE FOR PREPARATING BETA SECRETASE INHIBITORS INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2018-04-18 EP disclosed