SCHEMBL8419979

SCHEMBL8419979

CC1CCCCC(C2=CCCCCC2)=C1C(=O)OC(=O)C1=C(C2=CCCCCC2)CCCCC1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PAX8 Q06710 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
HSD11B1 P28845 1/20 0.32
SMURF1 Q9HCE7 1/20 0.32
NPC1 O15118 1/20 0.32
EPHX1 P07099 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACMSD Q8TDX5 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
TYMP P19971 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
SCHEMBL11783484 0.82 FFAR4 (0.36) HDAC1HDAC2FFAR4PAX8HSD11B1
SCHEMBL6905057 0.77 KMT2A (0.38) HDAC1HDAC2KMT2ACA1CA2
SCHEMBL5775953 0.77 KMT2A (0.38) HDAC1HDAC2KMT2ACA1CA2
SCHEMBL8419436 0.75 SLC6A3 (0.39) HDAC1HDAC2FFAR4ACMSDJAK2
SCHEMBL6865899 0.71 ACMSD (0.38) HDAC1HDAC2FFAR4PAX8HSD11B1
SCHEMBL455084 0.71 ACMSD (0.38) HDAC1HDAC2FFAR4PAX8HSD11B1
SCHEMBL849235 0.70 KMT2A (0.41) HDAC1HDAC2KMT2ACA1CA2
SCHEMBL8564431 0.70 HDAC1 (0.38) HDAC1HDAC2FFAR4PAX8HSD11B1
SCHEMBL28541154 0.70 HDAC1 (0.36) HDAC1HDAC2FFAR4PAX8HSD11B1
SCHEMBL24297812 0.69 HDAC1 (0.32) HDAC1HDAC2CA1CA2CA4

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-5962586-A Epoxy resin(s) with anhydride and polybutadiene-maleic anhydride adduct HARPER JOHN D (US) 1999-10-05 US disclosed