SCHEMBL6952907

SCHEMBL6952907

CCOC(C)(Cc1ccc(OCCN2CSc3ccccc3C2=O)cc1)C(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.35
PPARA Q07869 2/20 0.35
LTA4H P09960 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
PPARG P37231 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL6950736 0.83 DRD3 (0.39) PPARALTA4HMEN1KMT2APPARG
SCHEMBL8306718 0.76 NPC1 (0.41) MAPTPPARALTA4HMEN1KMT2A
SCHEMBL6952000 0.74 ITGB3 (0.41) PPARAPPARG
SCHEMBL6957101 0.73 L3MBTL1 (0.45) TP53MAPTLMNAPPARAPPARG
SCHEMBL6955185 0.73 LTA4H (0.37) MAPTPPARALTA4HMEN1KMT2A
SCHEMBL6952249 0.73 PPARG (0.39) PPARAKMT2APPARG
SCHEMBL6950757 0.73 TNF (0.45) MAPTLMNAPPARAMEN1KMT2A
SCHEMBL6955245 0.72 PPARG (0.40) TP53MAPTLMNAPPARAPPARG
SCHEMBL6953968 0.72 PPARG (0.35) TP53MAPTLMNAPPARALTA4H
SCHEMBL6952404 0.72 TNF (0.46) TP53MAPTPPARAMEN1KMT2A

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