SCHEMBL6914115

SCHEMBL6914115

CC(C)(C)CC(C)(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.71
RAB9A P51151 12/20 0.71
POLB P06746 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
KMT2A Q03164 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
MAPK1 P28482 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.61
HSP90AA1 P07900 2/20 0.57
MEN1 O00255 2/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.49

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
SCHEMBL6815302 0.88 NPC1 (0.73) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814465 0.87 NPC1 (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6810899 0.86 NPC1 (0.70) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814474 0.83 NPC1 (1.00) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6811118 0.79 NPC1 (0.77) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814360 0.78 NPC1 (0.76) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815682 0.78 NPC1 (0.62) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815339 0.77 POLB (0.77) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814602 0.77 NPC1 (0.64) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6818904 0.77 RAB9A (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO claimed
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed