SCHEMBL10884366

SCHEMBL10884366

COc1ccc(COOC(=O)C(=O)OOC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
LDHA P00338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
F2RL1 P55085 1/20 0.41
MEN1 O00255 1/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CALM1 P0DP23 2/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL10884455 0.83 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28526310 0.80 IDO1 (0.53) HTTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL11060388 0.79 ALDH1A1 (0.46) HTTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL28260934 0.79 IDO1 (0.52) HTTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL11109286 0.72 ALDH1A1 (0.50) HTTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL27455063 0.72 IDO1 (0.67) HTTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3758807 0.71 ALDH1A1 (0.60) HTTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL28731398 0.71 CES2 (0.53) NPC1RAB9APOLBSMN1; SMN2FFAR1
SCHEMBL28162527 0.70 IDO1 (0.59) HTTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL468287 0.70 HSD17B10 (0.65) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095860-B1 POLYMERISATION OF VINYL CHLORIDE MONOMER ICI AUSTRALIA LIMITED (AU) 1986-10-01 EP disclosed
US-4455412-A LOW TEMPERATURE, VINYL CHLORIDE ICI AUSTRALIA LIMITED (AU) 1984-06-19 US disclosed
EP-0095860-A2 Polymerisation of vinyl chloride monomer ICI AUSTRALIA LIMITED (AU) 1983-12-07 EP disclosed