SCHEMBL15040997

SCHEMBL15040997

CC(=O)c1ccc2c(c1)C(C)(C)C(C)(C)c1cc(C(C)=O)ccc1-2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
PDK2 Q15119 1/20 0.54
HSD17B1 P14061 2/20 0.49
S100A4 P26447 1/20 0.47
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.41
PGR P06401 1/20 0.41
CYP2A6 P11509 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.39
PRKCI P41743 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP2 O95551 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
SCHEMBL15040998 0.88 MAPT (0.57) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL5848239 0.85 MAPT (0.59) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL6861448 0.85 MAPT (0.59) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL15040977 0.84 MAPT (0.53) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL15040978 0.84 MAPT (0.53) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL15040961 0.82 MAPT (0.52) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL16891316 0.82 PDK2 (0.57) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL14691020 0.82 PDK2 (0.57) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL30705226 0.80 PDK2 (0.63) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL236472 0.80 PDK2 (0.63) MAPTRAB9ANPC1PDK2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 WO disclosed