SCHEMBL748241

SCHEMBL748241

CC(C)(C)c1ccc(CN(CCc2ccccc2F)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.36
LPAR5 Q9H1C0 7/20 0.36
SRC P12931 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ACKR3 P25106 1/20 0.33
PTGER2 P43116 2/20 0.33
SLC13A5 Q86YT5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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 0.90 TP53 (0.39) LPAR1LPAR5SRCTP53MAPT
SCHEMBL751838 0.89 ACHE (0.43) SRCADORA2AADORA1NPSR1KMT2A
SCHEMBL745530 0.89 HDAC1 (0.41) LPAR1LPAR5SRCRAB9AKMT2A
SCHEMBL748197 0.89 SRC (0.36) LPAR1LPAR5SRCTP53MAPT
SCHEMBL749993 0.87 LPAR1 (0.39) LPAR1LPAR5SRCMAPTRAB9A
SCHEMBL747958 0.87 TP53 (0.38) LPAR1LPAR5SRCTP53MAPT
SCHEMBL749665 0.87 MAPT (0.42) SRCTP53MAPTRAB9AKMT2A
SCHEMBL747722 0.86 ESRRG (0.41) SRCTP53MAPTSLC13A5ALDH1A1
SCHEMBL751065 0.86 SRC (0.38) SRCTP53MAPTKMT2ASLC13A5
SCHEMBL748554 0.86 LPAR1 (0.36) LPAR1LPAR5TP53MAPTADORA2A

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