SCHEMBL749104

SCHEMBL749104

CC(C)(C)c1ccc(CN(CCc2ccc(O[Si](C)(C)C)cc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.35
LPAR1 Q92633 9/20 0.35
LPAR5 Q9H1C0 8/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ESRRG P62508 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 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
SCHEMBL748509 0.91 LPAR1 (0.43) SLC13A5LPAR1LPAR5KMT2AMEN1
SCHEMBL745473 0.89 KMT2A (0.44) SLC13A5LPAR1LPAR5KMT2AMEN1
SCHEMBL748461 0.88 ESRRG (0.46) SLC13A5KMT2AMEN1ESRRGTP53
SCHEMBL747114 0.87 C5AR1 (0.41) SLC13A5LPAR1LPAR5KMT2AMEN1
SCHEMBL746610 0.87 TP53 (0.42) SLC13A5LPAR1LPAR5KMT2AMEN1
SCHEMBL747130 0.87 SLC13A5 (0.37) SLC13A5LPAR1LPAR5KMT2AMEN1
SCHEMBL746738 0.87 SRC (0.36) SLC13A5LPAR1LPAR5ESRRGTAOK1
SCHEMBL748533 0.85 ESRRG (0.37) SLC13A5KMT2AESRRGTP53MAPT
SCHEMBL748724 0.85 F10 (0.40) SLC13A5KMT2AMEN1
SCHEMBL746652 0.83 F2 (0.44) LPAR1KMT2AMEN1TP53

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-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed