SCHEMBL6948171

SCHEMBL6948171

CCOC(=O)C(Cc1ccc(OCCn2c(=O)c3ccccc3n(C)c2=O)cc1)(OCC)C(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.41
PPARD Q03181 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PKM P14618 1/20 0.39
HDAC1 Q13547 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6952404 0.88 TNF (0.46) TNFALDH1A1NPC1RAB9AMEN1
SCHEMBL6953586 0.87 TNF (0.51) TNFALDH1A1NPC1RAB9AMEN1
SCHEMBL6952900 0.84 TNF (0.48) TNFALDH1A1NPC1RAB9AMEN1
SCHEMBL6949189 0.79 MAPK1 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6955034 0.79 NPC1 (0.54) ALDH1A1NPC1RAB9AKMT2APPARA
SCHEMBL6955185 0.75 LTA4H (0.37) ALDH1A1MEN1KMT2APPARAPPARG
SCHEMBL6955076 0.74 PPARA (0.54) TNFALDH1A1NPC1RAB9AMEN1
SCHEMBL6948934 0.74 MEN1 (0.45) TNFALDH1A1NPC1RAB9AMEN1
SCHEMBL6952341 0.73 MEN1 (0.44) TNFALDH1A1NPC1RAB9AMEN1
SCHEMBL6957101 0.71 L3MBTL1 (0.45) ALDH1A1NPC1RAB9APPARAPPARG

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
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed