SCHEMBL6467024

SCHEMBL6467024

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.31
POLB P06746 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
HSPA5 P11021 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 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
SCHEMBL6469298 0.86 PTGS2 (0.36) AKR1C3AKR1C2MEN1GAAKMT2A
SCHEMBL6467280 0.85 GABRA1 (0.39) MEN1GAAKMT2APOLBALDH1A1
SCHEMBL5996722 0.78 ITGB1 (0.36) MEN1KMT2APTGS2POLBALDH1A1
SCHEMBL5995231 0.78 KMT2A (0.37) MEN1KMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL6465377 0.77 MEN1 (0.37) AKR1C3AKR1C2MEN1GAAKMT2A
SCHEMBL6470171 0.77 AKR1C3 (0.33) AKR1C3AKR1C2MEN1GAAKMT2A
SCHEMBL6465884 0.75 MEN1 (0.36) AKR1C3AKR1C2MEN1GAAKMT2A
SCHEMBL5996841 0.75 MEN1 (0.33) MEN1GAAKMT2APOLBRXRA
SCHEMBL5996474 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL6467319 0.75 KMT2A (0.41) MEN1KMT2AALDH1A1CYP1A2SMN1; SMN2

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