SCHEMBL15096313

SCHEMBL15096313

Cc1c(C)c(C)c(CC(C(=O)O)C(=O)O)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.38
CYP2C19 P33261 3/20 0.34
KMT2A Q03164 3/20 0.33
GRIA1 P42261 3/20 0.32
GRIA3 P42263 3/20 0.32
MAPT P10636 3/20 0.32
GRIK1 P39086 2/20 0.32
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK5 Q16478 2/20 0.32
MEN1 O00255 2/20 0.32
CYP2C9 P11712 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK4 Q16099 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL11030460 0.78 GRIA1 (0.53) CYP2C19KMT2AGRIA1GRIA3MAPT
SCHEMBL6046222 0.78 GRIA1 (0.53) CYP2C19KMT2AGRIA1GRIA3MAPT
SCHEMBL7497698 0.74 LDHA (0.38) LDHACYP2C19KMT2ACYP2C9CYP1A2
SCHEMBL9972719 0.70 APAF1 (0.37) MAPTCYP1A2BLMAPAF1KDM4E
SCHEMBL13762701 0.70 KMT2A (0.40) LDHACYP2C19KMT2AMAPTMEN1
SCHEMBL18035901 0.69 GRIA1 (0.49) CYP2C19KMT2AGRIA1GRIA3MAPT
SCHEMBL28619366 0.69 ALOX15 (0.38) LDHACYP2C19KMT2AMAPTMEN1
SCHEMBL10925736 0.68 FOLH1 (0.37) LDHACYP2C19KMT2ACYP1A2
SCHEMBL8331718 0.68 GRIA1 (0.50) KMT2AGRIA1GRIA3GRIA2GRIA4
SCHEMBL18035913 0.68 GRIA1 (0.47) CYP2C19KMT2AGRIA1GRIA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226329-B1 Metal-containing platensimycin analogues UNIV RUHR BOCHUM (DE) 2013-07-10 EP disclosed