SCHEMBL748289

SCHEMBL748289

CC(C)(C)c1ccc(CN(Cc2cccc(Cl)c2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
GHSR Q92847 7/20 0.38
RIPK1 Q13546 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC2A1 P11166 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGES O14684 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ACHE P22303 3/20 0.34
WDR5 P61964 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
SCHEMBL749665 0.88 MAPT (0.42) SRCNPC1LMNARAB9AKMT2A
SCHEMBL745530 0.85 HDAC1 (0.41) SRCNPC1RAB9AKMT2AACHE
SCHEMBL750950 0.85 SRC (0.36) SRCLMNAALDH1A1WDR5
SCHEMBL748532 0.85 RIPK1 (0.37) GHSRRIPK1SLC2A1PTGER2PTGES
SCHEMBL746739 0.84 SRC (0.37) SRCGHSRLMNANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL751875 0.84 SRC (0.36) SRCLMNAALDH1A1WDR5
SCHEMBL749660 0.84 SLC2A1 (0.35) GHSRSLC2A1PTGER2ACHE
SCHEMBL748197 0.83 SRC (0.36) SRCLMNAALDH1A1
SCHEMBL747722 0.82 ESRRG (0.41) SRCLMNAALDH1A1ACHE
SCHEMBL750906 0.82 TP53 (0.39) SRCLMNAKMT2ASLC2A1PTGER2

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