SCHEMBL8701494

SCHEMBL8701494

COCN1Cc2ccccc2C(CC(=O)O)(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
HTT P42858 1/20 0.34
HSD11B1 P28845 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 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
SCHEMBL8705961 0.86 KMT2A (0.44) LMNAKMT2APKMKDM4EALOX15
SCHEMBL8705630 0.86 LMNA (0.42) LMNAKMT2AHTT
SCHEMBL8709426 0.84 KMT2A (0.43) LMNAKMT2APKMKDM4EALOX15
SCHEMBL8710396 0.83 LMNA (0.42) LMNAKMT2ATSHRHTTMEN1
SCHEMBL8705275 0.81 KMT2A (0.47) LMNAKMT2APKMKDM4EALOX15
SCHEMBL8707955 0.78 CCR1 (0.44) LMNAKMT2AMEN1
SCHEMBL8703449 0.75 LMNA (0.37) LMNAKMT2AHTTMEN1MITF
Hydrochloric Acid SCHEMBL8705245 0.72 HTR7 (0.51) TSHR
SCHEMBL8710606 0.72 LMNA (0.35) LMNAKMT2ATSHRMEN1
SCHEMBL8709417 0.70 ALDH1A1 (0.39) LMNAKMT2AHTTPARP1MEN1

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
WO-1998002432-A1 BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-22 WO disclosed