SCHEMBL4945161

SCHEMBL4945161

CC(=O)c1ccc2c(c1)C(C)(C)C1=C2C=CC(C(C)=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PDK2 Q15119 1/20 0.36
S100A4 P26447 1/20 0.35
HSD17B1 P14061 1/20 0.34
KMT2A Q03164 1/20 0.33
PGR P06401 2/20 0.32
TDP2 O95551 1/20 0.30

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
SCHEMBL15040977 0.72 MAPT (0.53) NPC1MAPTRAB9APDK2S100A4
SCHEMBL15040998 0.72 MAPT (0.57) NPC1MAPTRAB9APDK2S100A4
SCHEMBL15040978 0.69 MAPT (0.53) NPC1MAPTRAB9APDK2S100A4
SCHEMBL15449473 0.68 MAPT (0.45) NPC1MAPTRAB9APDK2S100A4
SCHEMBL15040961 0.68 MAPT (0.52) NPC1MAPTRAB9APDK2S100A4
SCHEMBL5056728 0.66 PDK2 (0.60) NPC1MAPTRAB9APDK2S100A4
SCHEMBL236472 0.65 PDK2 (0.63) NPC1MAPTRAB9APDK2S100A4
SCHEMBL30705226 0.65 PDK2 (0.63) NPC1MAPTRAB9APDK2S100A4
SCHEMBL15040997 0.65 MAPT (0.57) NPC1MAPTRAB9APDK2S100A4
SCHEMBL4998169 0.64 MAPT (0.47) NPC1MAPTRAB9APDK2S100A4

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
US-7378135-B2 Polymerizable liquid crystal composition and optically anisotropic thin film CHISSO CORPORATION (JP) 2008-05-27 US disclosed
US-20060222784-A1 Polymerizable liquid crystal composition and optically anisotropic thin film JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2006-10-05 US disclosed