SCHEMBL6948934

SCHEMBL6948934

CC(C)OC(C)(Cc1ccc(OCCn2c(=O)c3ccccc3n(C)c2=O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
PPARD Q03181 1/20 0.44
PKM P14618 1/20 0.44
TNF P01375 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 2/20 0.39
PLA2G4A P47712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6952341 0.92 MEN1 (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6952404 0.81 TNF (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6952900 0.81 TNF (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6956426 0.80 PPARG (0.59) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6955076 0.76 PPARA (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6952391 0.75 PPARG (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6956161 0.75 PPARG (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6952396 0.74 MEN1 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6948171 0.74 TNF (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6953586 0.72 TNF (0.51) MEN1KMT2AALDH1A1NPC1RAB9A

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