SCHEMBL11525477

SCHEMBL11525477

C=CCNC(=O)C1CCc2cc(-c3ccccc3)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL11440114 0.90 HRH3 (0.48) POLBHDAC3HDAC1HDAC2NFKB1
SCHEMBL11530821 0.86 LMNA (0.47) POLBHDAC3HDAC1HDAC2NFKB1
SCHEMBL11527877 0.84 PPARG (0.52) NFKB1NFKB2RELARAB9AHTT
SCHEMBL11528144 0.82 CYP4F2 (0.47) POLBHDAC3HDAC1HDAC2NFKB1
SCHEMBL11527702 0.82 KMT2A (0.49) POLBNFKB1NFKB2RELALMNA
SCHEMBL11526092 0.80 HDAC3 (0.49) HDAC3HDAC1HDAC2NFKB1NFKB2
SCHEMBL29587603 0.80 HDAC3 (0.49) HDAC3HDAC1HDAC2NFKB1NFKB2
SCHEMBL11545033 0.80 ADAMTS5 (0.53) POLBLMNANPC1RAB9AKMT2A
SCHEMBL29586727 0.80 NFKB1 (0.50) HDAC3HDAC1HDAC2NFKB1NFKB2
SCHEMBL11527340 0.79 CYP4F2 (0.39) HDAC3HDAC1HDAC2NFKB1NFKB2

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-4178380-A LIPOGENSIS INHIBITORS SHELL OIL COMPANY (US) 1979-12-11 US disclosed