SCHEMBL11544301

SCHEMBL11544301

CC=CC1(C)C(=O)OC(=O)C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
CYP3A4 P08684 3/20 0.35
MAPK1 P28482 3/20 0.35
HIF1A Q16665 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
TFPI2 P48307 1/20 0.35
PPP5C P53041 1/20 0.35
PPP2CA P67775 1/20 0.35
PPP1CA P62136 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35

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
SCHEMBL10583365 0.79 TP53 (0.32) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL11540006 0.77 TSHR (0.31) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL13629585 0.69 TP53 (0.38) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL4520016 0.69 TP53 (0.38) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL24452448 0.66 TP53 (0.34) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL3138269 0.66 TP53 (0.35) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL17236071 0.66 TP53 (0.35) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL13992906 0.66 TP53 (0.35) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL8068030 0.63 MEN1 (0.39) CYP3A4MEN1KMT2A
SCHEMBL8838241 0.63

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
US-4156686-A Catalytic reaction of alkenyl succinic anhydrides and olefins CHEVRON RESEARCH COMPANY (US) 1979-05-29 US disclosed
US-4000163-A Palladium catalyzed isomerization of alkenyl succinic anhydride and palladium catalyzed reaction of alkenyl succinic anhydride and olefines producing alpha-alkyl, β-alkenyl succinic anhydride CHEVRON RESEARCH COMPANY (US) 1976-12-28 US disclosed
US-3989726-A Platinum catalyzed isomerization of alkenyl succinic anhydrides CHEVRON RESEARCH COMPANY (US) 1976-11-02 US disclosed