SCHEMBL9360960

SCHEMBL9360960

CC(C)C(=O)OC(C=O)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
NFKB1 P19838 2/20 0.46
KCNH2 Q12809 2/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
RGS12 O14924 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9360953 1.00 FNTA (0.47) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9360238 0.90 FNTA (0.51) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9360226 0.90 FNTA (0.51) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9360633 0.90 NFKB1 (0.47) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9360627 0.90 NFKB1 (0.47) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9357248 0.87 NFKB1 (0.45) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9356999 0.86 NFKB1 (0.47) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9356990 0.86 NFKB1 (0.47) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9357243 0.84 NFKB1 (0.45) FNTAFNTBNFKB1KCNH2NFKB2
SCHEMBL9357240 0.84 NFKB1 (0.45) FNTAFNTBNFKB1KCNH2NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306969-B1 A process for producing an alpha-acyloxy-alpha beta-unsaturated carbonyl compound and a 20-acyl-oxy-17(20)-methylen-21-al-steroid compound NIPPON ZEON CO (JP) 1994-11-30 EP disclosed
US-5169966-A Oxidizing in presence of platinum compound or complexes catalyst; chemical intermediates NIPPON ZEON CO., LTD (JP) 1992-12-08 US disclosed
US-5084584-A Oxidation of a propargyl compound NIPPON ZEON CO., LTD. (JP) 1992-01-28 US disclosed