SCHEMBL7434663

SCHEMBL7434663

CC(C)(C)OC(=O)CNCCC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
LTA4H P09960 5/20 0.40
PTPRC P08575 2/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL7441891 0.82 KMT2A (0.46) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL4181717 0.81 MAPT (0.50) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL2001318 0.81 GAA (0.59) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL557536 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ALTA4H
SCHEMBL7117442 0.80 ELANE (0.44) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL12581334 0.79 MAOA (0.41) ALDH1A1MAPTKMT2AGAAHPGD
Hydrochloric Acid SCHEMBL13269542 0.78 MAOA (0.40) ALDH1A1MAPTKMT2AGAAHPGD
SCHEMBL948952 0.78 NPC1 (0.49) ALDH1A1MAPTKMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL10493771 0.77 NPC1 (0.48) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL5189123 0.77 PTPRC (0.41) ALDH1A1MAPTKMT2ALMNAPTPRC

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-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed