SCHEMBL749993

SCHEMBL749993

COc1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
SRC P12931 1/20 0.38
NPC1 O15118 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
PTGER2 P43116 2/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL745530 0.93 HDAC1 (0.41) LPAR1LPAR5SRCNPC1MEN1
SCHEMBL750906 0.92 TP53 (0.39) LPAR1LPAR5SRCMEN1KMT2A
SCHEMBL747722 0.92 ESRRG (0.41) SRCHDAC1HDAC6HIF1AALDH1A1
SCHEMBL746738 0.92 SRC (0.36) LPAR1LPAR5SRCHDAC1HDAC6
SCHEMBL751065 0.91 SRC (0.38) SRCMEN1KMT2AHDAC1HDAC6
SCHEMBL749647 0.91 LMNA (0.39) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL750133 0.89 SRC (0.36) LPAR1LPAR5SRCMEN1KMT2A
SCHEMBL747958 0.88 TP53 (0.38) LPAR1LPAR5SRCMEN1KMT2A
SCHEMBL750950 0.87 SRC (0.36) SRCNR1H4HDAC1HDAC6HIF1A
SCHEMBL748197 0.87 SRC (0.36) LPAR1LPAR5SRCHDAC1HDAC6

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-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed