SCHEMBL749660

SCHEMBL749660

CC(C)(C)c1ccc(CN(CCc2cccc(Cl)c2)C(=O)Oc2cc(Br)cc3c2NCCC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
GHSR Q92847 7/20 0.32
PTGER2 P43116 1/20 0.32
MBTPS1 Q14703 1/20 0.32
PKM P14618 1/20 0.32
ACHE P22303 3/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL746695 0.87 LPAR1 (0.36) SLC2A1LPAR1LPAR5GHSRPTGER2
SCHEMBL751895 0.84 DHODH (0.33) SIGMAR1
SCHEMBL748289 0.84 SRC (0.39) SLC2A1GHSRPTGER2ACHE
SCHEMBL748502 0.83 DHODH (0.33)
Hydrochloric Acid SCHEMBL750002 0.83 DHODH (0.33) SIGMAR1
SCHEMBL751065 0.83 SRC (0.38) SLC2A1HDAC1HDAC6ACHE
Hydrochloric Acid SCHEMBL748627 0.83 DHODH (0.33)
SCHEMBL749615 0.83 MAPT (0.35) SLC2A1HDAC1HDAC6
SCHEMBL750950 0.83 SRC (0.36) HDAC1HDAC6SIGMAR1
SCHEMBL746629 0.82 WDR5 (0.33)

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