SCHEMBL748461

SCHEMBL748461

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.46
SLC13A5 Q86YT5 1/20 0.38
KMT2A Q03164 2/20 0.37
ESRRB O95718 4/20 0.36
RCE1 Q9Y256 1/20 0.34
MEN1 O00255 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
C5AR1 P21730 1/20 0.32
PKM P14618 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL745473 0.94 KMT2A (0.44) ESRRGSLC13A5KMT2ARCE1MEN1
SCHEMBL747130 0.92 SLC13A5 (0.37) ESRRGSLC13A5KMT2ARCE1MEN1
SCHEMBL747114 0.92 C5AR1 (0.41) ESRRGSLC13A5KMT2ARCE1MEN1
SCHEMBL746610 0.92 TP53 (0.42) ESRRGSLC13A5KMT2ARCE1MEN1
SCHEMBL748509 0.90 LPAR1 (0.43) ESRRGSLC13A5KMT2AMEN1LMNA
SCHEMBL748533 0.89 ESRRG (0.37) ESRRGSLC13A5KMT2ALMNATP53
SCHEMBL749104 0.88 SLC13A5 (0.35) ESRRGSLC13A5KMT2AMEN1TP53
SCHEMBL747162 0.88 TACR1 (0.37) SLC13A5KMT2AHDAC6TP53MAPT
SCHEMBL748780 0.88 TP53 (0.35) ESRRGSLC13A5KMT2AMEN1CRHBP
SCHEMBL745501 0.88 TMEM97 (0.39) ESRRGSLC13A5KMT2AESRRBCRHBP

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