SCHEMBL19001584

SCHEMBL19001584

CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CI)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
HIF1A Q16665 1/20 0.58
AR P10275 2/20 0.57
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 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
SCHEMBL19677506 0.94 HIF1A (0.65) HTTHIF1AARKMT2ALMNA
SCHEMBL12267344 0.94 HIF1A (0.65) HTTHIF1AARKMT2ALMNA
SCHEMBL13851882 0.91 HTT (0.65) HTTHIF1AARKMT2ALMNA
SCHEMBL12267213 0.90 HTT (0.57) HTTHIF1AARKMT2ALMNA
SCHEMBL376300 0.89 HIF1A (0.61) HTTHIF1AARKMT2ALMNA
SCHEMBL12267330 0.88 AR (0.74) HTTHIF1AARKMT2ALMNA
SCHEMBL19677385 0.88 AR (0.74) HTTHIF1AARKMT2ALMNA
SCHEMBL13513140 0.86 AR (0.76) HTTHIF1AARKMT2ALMNA
SCHEMBL13513189 0.85 HTT (0.58) HTTHIF1AARKMT2ALMNA
SCHEMBL13513185 0.85 HTT (0.58) HTTHIF1AARKMT2ALMNA

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-2307342-B1 DIGLYCIDIC ETHER DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-06-21 EP disclosed