SCHEMBL748533

SCHEMBL748533

CCN(CC)c1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.37
CNR2 P34972 4/20 0.36
SLC13A5 Q86YT5 1/20 0.36
KMT2A Q03164 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL745473 0.90 KMT2A (0.44) ESRRGSLC13A5KMT2AMAPTNR1H4
SCHEMBL745468 0.90 F2 (0.38) CNR2SLC13A5KMT2ATP53LMNA
SCHEMBL748461 0.89 ESRRG (0.46) ESRRGSLC13A5KMT2ATP53LMNA
SCHEMBL747114 0.89 C5AR1 (0.41) ESRRGSLC13A5KMT2ALMNA
SCHEMBL746610 0.89 TP53 (0.42) ESRRGSLC13A5KMT2ATP53LMNA
SCHEMBL747130 0.89 SLC13A5 (0.37) ESRRGSLC13A5KMT2ATP53LMNA
SCHEMBL748509 0.87 LPAR1 (0.43) ESRRGSLC13A5KMT2ATP53LMNA
SCHEMBL747640 0.86 TP53 (0.41) ESRRGSLC13A5TP53LMNAMAPT
SCHEMBL749104 0.85 SLC13A5 (0.35) ESRRGSLC13A5KMT2ATP53MAPT
SCHEMBL747162 0.84 TACR1 (0.37) SLC13A5KMT2ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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