SCHEMBL6469787

SCHEMBL6469787

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.39
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
SRC P12931 1/20 0.31
PLK1 P53350 1/20 0.31
AKT1 P31749 1/20 0.31
TRPA1 O75762 1/20 0.31
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6467862 0.84 GABRA1 (0.47) MEN1GAAKMT2APOLB
SCHEMBL6465884 0.78 MEN1 (0.36) HSPA5MEN1GAAKMT2APOLB
SCHEMBL6469298 0.75 PTGS2 (0.36) HSPA5MEN1GAAKMT2APOLB
SCHEMBL6470378 0.75 MEN1 (0.34) HSPA5MEN1GAAKMT2APOLB
SCHEMBL6470171 0.72 AKR1C3 (0.33) HSPA5MEN1GAAKMT2APOLB
SCHEMBL6470130 0.72 TSHR (0.34) HSPA5MEN1GAAKMT2APOLB
SCHEMBL6467024 0.72 AKR1C3 (0.33) HSPA5MEN1GAAKMT2APOLB
SCHEMBL2689419 0.72 KMT2A (0.40) MEN1GAAKMT2APOLBRXRA
SCHEMBL6465505 0.72 HSPA5 (0.32) HSPA5
SCHEMBL6469823 0.71 MEN1 (0.39) MEN1GAAKMT2APOLBRXRA

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