SCHEMBL9342126

SCHEMBL9342126

CCCCCCCCC(=O)Oc1cc(C(=O)O)cc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
POLM Q9NP87 1/20 0.44
POLK Q9UBT6 1/20 0.44
POLL Q9UGP5 1/20 0.44
POLH Q9Y253 1/20 0.44
ALOX15 P16050 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PLA2G2A P14555 2/20 0.42
TOP2A P11388 2/20 0.41
PLA2G2D Q9UNK4 1/20 0.41

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
SCHEMBL17138152 0.85 PPARG (0.49) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL8089490 0.82 PLA2G2A (0.52) PLA2G2A
SCHEMBL29122753 0.81 POLM (0.56) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL32684916 0.81 POLM (0.56) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL28380496 0.81 POLM (0.56) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL2023424 0.81 POLM (0.56) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL8015856 0.81 POLM (0.56) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL32684946 0.81 POLM (0.56) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL3740934 0.81 POLM (0.56) KDM4EMEN1RECQLKMT2APPARG
SCHEMBL28887199 0.81 POLM (0.56) KDM4EMEN1RECQLKMT2APPARG

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
US-5310500-A Fluorinated naphthalenecarboxylic acid ester derivatives; electrooptics SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1994-05-10 US disclosed