SCHEMBL11747686

SCHEMBL11747686

CC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C34OC4C[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
NR3C1 P04150 8/20 0.57
HIF1A Q16665 7/20 0.54
CYP3A4 P08684 6/20 0.54
NFKB1 P19838 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ABCB11 O95342 2/20 0.54
TSHR P16473 2/20 0.54
PGR P06401 2/20 0.54
AR P10275 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
APEX1 P27695 1/20 0.54
PMP22 Q01453 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL27649696 1.00 KDM4E (0.61) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL10497119 1.00 KDM4E (0.61) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL10497112 1.00 KDM4E (0.61) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL12396686 0.92 NR3C1 (0.67) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL13928662 0.92 NR3C1 (0.67) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL4221189 0.92 NR3C1 (0.67) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL27734606 0.92 NR3C1 (0.67) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL4221187 0.92 NR3C1 (0.67) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL12396656 0.90 KDM4E (0.71) KDM4ENR3C1HIF1ACYP3A4NFKB1
SCHEMBL22414814 0.90 KDM4E (0.71) KDM4ENR3C1HIF1ACYP3A4NFKB1

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-4024131-A ANTIINFLAMMATORY PLURICHEMIE ANSTALT (FL) 1977-05-17 US disclosed