SCHEMBL6465884

SCHEMBL6465884

CCc1cc(CC)c(C(=O)P(=O)(CC)C(=O)c2c(CC)cc(CC)cc2CC)c(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
POLB P06746 1/20 0.33
HSPA5 P11021 1/20 0.33
SRC P12931 1/20 0.33
PLK1 P53350 1/20 0.32
TRPA1 O75762 1/20 0.32
AKT1 P31749 1/20 0.32
ALDH1A1 P00352 1/20 0.31
BCL2 P10415 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
CA12 O43570 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL6470378 0.85 MEN1 (0.34) MEN1GAAKMT2ARXRARXRB
SCHEMBL6470171 0.82 AKR1C3 (0.33) MEN1GAAKMT2ARXRARXRB
SCHEMBL6470130 0.82 TSHR (0.34) MEN1GAAKMT2ARXRARXRB
SCHEMBL6470043 0.81 CETP (0.38) MEN1GAAKMT2A
SCHEMBL6470386 0.80 CETP (0.40)
SCHEMBL6466115 0.80 CETP (0.40)
SCHEMBL6467881 0.80 CETP (0.40)
SCHEMBL6469298 0.78 PTGS2 (0.36) MEN1GAAKMT2ARXRARXRB
SCHEMBL6469787 0.78 HSPA5 (0.39) MEN1GAAKMT2ARXRARXRB
SCHEMBL6467024 0.75 AKR1C3 (0.33) MEN1GAAKMT2ARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096406-A1 Reactive diluents and alkyd resin coating compositions PRETOT ROGER (CH) 2005-05-05 US disclosed
US-5534559-A UNSATURATED POLYESTERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed