SCHEMBL8100381

SCHEMBL8100381

CCc1c(OCCCCCCCCCCBr)c(C(=O)O)c(CC)c(OCCCCCCCCCCBr)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G4B P0C869 5/20 0.40
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
RARB P10826 3/20 0.38
HTT P42858 1/20 0.38
PLA2G4A P47712 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
SCHEMBL8106324 1.00 PLA2G2A (0.41) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL668868 0.87 PLA2G2A (0.50) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL17186650 0.85 THRA (0.40) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL7759784 0.84 ALDH1A1 (0.44) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL17186600 0.84 PLA2G2A (0.37) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL7754588 0.84 ALDH1A1 (0.44) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL8100384 0.79 PTPN11 (0.37) PLA2G2ATSHR
SCHEMBL8106327 0.79 PTPN11 (0.37) PLA2G2ATSHR
SCHEMBL5587043 0.74 PLA2G2A (0.44) PLA2G2ATP53TSHRPLA2G4BTHRA
SCHEMBL5589712 0.74 PLA2G2A (0.44) PLA2G2ATP53TSHRPLA2G4BTHRA

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-6031015-A POLYMERIZABLE POLYESTER OF 1-10 REPEATING UNITS BEING MODIFIED ON BOTH ENDS BY A HYDROXYALKYL (METH)ACRYLATE; SHRINKAGE INHIBITION; LOW VISCOSITY; MECHANICAL STRENGTH; CAN INCLUDE MORE FILLER THAN USUAL IVOCLAR AG (LI) 2000-02-29 US disclosed