SCHEMBL9926017

SCHEMBL9926017

CC(C)(C)c1ccc(C(=O)CCCI)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 4/20 0.50
ALDH1A1 P00352 2/20 0.50
RECQL P46063 2/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC1 Q13547 3/20 0.47
CYP2J2 P51589 1/20 0.46
SRD5A2 P31213 1/20 0.46
HSD17B3 P37058 4/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL1502278 0.85 NPC1 (0.42) NPC1RAB9AMAPTLMNATDP1
SCHEMBL2763103 0.85 NPC1 (0.42) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL7079689 0.85 RAB9A (0.66) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL7885323 0.84 HSD17B3 (0.65) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL4621264 0.82 NPC1 (0.40) NPC1RAB9AMAPTLMNATDP1
SCHEMBL2240591 0.82 NPC1 (0.54) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL1502465 0.81 ALDH1A1 (0.43) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL14302682 0.81 HSD17B3 (0.67) NPC1RAB9AMAPTALDH1A1HDAC1
SCHEMBL10471647 0.81 MAPT (0.53) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL10471481 0.81 NPC1 (0.53) NPC1RAB9AMAPTLMNAALDH1A1

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
WO-2012076919-A1 PROCESS OF PREPARING EBASTINE MICRO LABS LIMITED (IN) 2012-06-14 WO disclosed