SCHEMBL3239673

SCHEMBL3239673

Cc1[nH]c(Cc2ccccc2)nc1-c1ccc(CC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
XDH P47989 1/20 0.39
DHODH Q02127 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.38
ALOX5AP P20292 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRD1 P41143 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
SCHEMBL26111911 0.85 GAA (0.50) GAANPC1POLBRAB9APKM
SCHEMBL3238413 0.84 RAB9A (0.55) GAANPC1POLBRAB9APKM
SCHEMBL27835373 0.83 TAAR1 (0.44) GAANPC1POLBRAB9AXDH
SCHEMBL2867282 0.81 NR1H2 (0.55) GAANPC1POLBRAB9APKM
SCHEMBL2868950 0.81 MAPK13 (0.44) GAANPC1POLBRAB9APKM
SCHEMBL27815849 0.80 GAA (0.43) GAANPC1POLBRAB9APKM
SCHEMBL3239680 0.80 HSD11B1 (0.49) GAANPC1POLBRAB9ADHODH
SCHEMBL3245375 0.79 KMT2A (0.43) GAANPC1POLBRAB9APKM
SCHEMBL2868874 0.78 PRNP (0.49) GAANPC1POLBRAB9AKMT2A
SCHEMBL2868334 0.78 MAPK13 (0.44) GAANPC1RAB9APKMTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137953-B Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2014-05-07 CN disclosed
CN-102137953-A Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2011-07-27 CN disclosed
WO-2010024472-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 WO disclosed