SCHEMBL6467013

SCHEMBL6467013

CCCCP(=O)(C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.47
NR5A1 Q13285 1/20 0.47
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RXRA P19793 4/20 0.34
PPARG P37231 3/20 0.34
HMGCR P04035 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL5994829 0.86 NR5A2 (0.39) NR5A2NR5A1HDAC3HDAC1HDAC2
SCHEMBL5995660 0.82 NR5A2 (0.36) NR5A2NR5A1HDAC3HDAC1HDAC2
SCHEMBL5995713 0.80 CNR1 (0.37) NR5A2NR5A1HDAC3HDAC1HDAC2
SCHEMBL5995479 0.80 PLK1 (0.37) NR5A2NR5A1HDAC3HDAC1HDAC2
SCHEMBL5996830 0.77 NR5A2 (0.33) NR5A2NR5A1HDAC3HDAC1HDAC2
SCHEMBL5995560 0.77 TSHR (0.35) NR5A2NR5A1HDAC3HDAC1HDAC2
SCHEMBL5994505 0.76 RAB9A (0.38) NR5A2NR5A1HDAC3HDAC1HDAC2
SCHEMBL5993913 0.75 CNR2 (0.34) NR5A2NR5A1ALDH1A1MAPTTSHR
SCHEMBL5994358 0.74 PPARA (0.40) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL5996266 0.74 CYP3A4 (0.40) HDAC3HDAC1HDAC2LMNAKMT2A

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