SCHEMBL14775689

SCHEMBL14775689

CC(C)(C)c1ccc2c(c1)OC(OC(=O)O)CO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
AIMP2 Q13155 2/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
CXCR5 P32302 1/20 0.43
APLNR P35414 1/20 0.43
CCR6 P51684 1/20 0.43
CYP19A1 P11511 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FFAR1 O14842 2/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL14775665 0.95 CYP19A1 (0.42) NPC1RAB9AAIMP2MAPTLMNA
SCHEMBL14775709 0.81 PTGS1 (0.41) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL1208766 0.79 NPC1 (0.55) NPC1RAB9AAIMP2MAPTLMNA
SCHEMBL9800594 0.76 HTT (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5169684 0.76 HTT (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5172603 0.76 HTT (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL27347661 0.76 CYP19A1 (0.41) NPC1RAB9AAIMP2MAPTLMNA
SCHEMBL3666847 0.73 NPC1 (0.49) NPC1RAB9AAIMP2MAPTLMNA
SCHEMBL3733123 0.73 NPC1 (0.49) NPC1RAB9AAIMP2MAPTLMNA
SCHEMBL1207688 0.73 NPC1 (0.49) NPC1RAB9AAIMP2MAPTLMNA

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-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP claimed