SCHEMBL6315692

SCHEMBL6315692

C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2.CC(C)(C)c1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
ESRRG P62508 2/20 0.35
LMNA P02545 2/20 0.34
TYR P14679 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
XBP1 P17861 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33

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
4-Vinylphenol SCHEMBL5445858 0.90 CYP19A1 (0.37) CYP1A2CYP17A1CYP19A1ESRRGLMNA
SCHEMBL5443982 0.89 MAPT (0.39) GAAMAPTXBP1HDAC1HDAC7
SCHEMBL5442500 0.88 GABBR2 (0.36) CYP17A1CYP19A1GAAMAPTXBP1
SCHEMBL5446080 0.86 CYP1A2 (0.37) CYP1A2CYP17A1CYP19A1ESRRGLMNA
SCHEMBL5442457 0.85 KMT2A (0.38) CYP17A1CYP19A1LMNAGAAMAPT
SCHEMBL5443938 0.85 CYP17A1 (0.36) CYP17A1CYP19A1ESRRGLMNAGAA
SCHEMBL5446054 0.83 KMT2A (0.37) CYP19A1GAAMAPTXBP1HDAC1
SCHEMBL5437125 0.82 KMT2A (0.43) CYP17A1CYP19A1GAAMAPTXBP1
SCHEMBL5450379 0.82 MMP1 (0.37) LMNAHDAC1HDAC7HDAC11HDAC8
4-Vinylphenol SCHEMBL29145053 0.82 MAPT (0.40) CYP17A1CYP19A1GAAMAPTHPGD

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-6949329-B2 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-09-27 US disclosed