SCHEMBL749665

SCHEMBL749665

CC(C)(C)c1ccc(CN(Cc2ccc(F)cc2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
SRC P12931 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER2 P43116 2/20 0.36
LMNA P02545 3/20 0.35
SLC13A5 Q86YT5 1/20 0.35
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
DHODH Q02127 3/20 0.34
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL750906 0.94 TP53 (0.39) MAPTTP53SRCSMN1; SMN2MEN1
SCHEMBL747958 0.93 TP53 (0.38) MAPTTP53SRCSMN1; SMN2MEN1
SCHEMBL748289 0.88 SRC (0.39) SRCKMT2APTGER2LMNANPC1
SCHEMBL745530 0.87 HDAC1 (0.41) SRCMEN1KMT2ASLC13A5NPC1
SCHEMBL748197 0.87 SRC (0.36) MAPTTP53SRCSMN1; SMN2LMNA
SCHEMBL748241 0.87 LPAR1 (0.36) MAPTTP53SRCKMT2APTGER2
SCHEMBL747722 0.86 ESRRG (0.41) MAPTTP53SRCSMN1; SMN2LMNA
SCHEMBL749993 0.86 LPAR1 (0.39) MAPTSRCSMN1; SMN2MEN1KMT2A
SCHEMBL751065 0.86 SRC (0.38) MAPTTP53SRCSMN1; SMN2MEN1
SCHEMBL748116 0.85 SRC (0.39) SRCLMNASLC13A5HDAC6GAA

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