SCHEMBL8859660

SCHEMBL8859660

C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
KCNH2 Q12809 1/20 0.56
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
NR3C1 P04150 6/20 0.45
AR P10275 3/20 0.45
PGR P06401 3/20 0.45
NR3C2 P08235 1/20 0.45
LMNA P02545 4/20 0.44
TSHR P16473 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP2C19 P33261 2/20 0.44
ESR1 P03372 2/20 0.44
SHBG P04278 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10625546 1.00 NFKB1 (0.56) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL9623669 0.90 NFKB1 (0.56) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL17066183 0.89 NR3C1 (0.57) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL10413147 0.88 NFKB1 (0.55) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL11018967 0.84 NR3C1 (0.46) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL8859719 0.83 NFKB1 (0.61) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL8859749 0.82 FNTA (0.54) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL9470074 0.82 NFKB1 (0.60) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL10629876 0.82 NFKB1 (0.67) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL10629868 0.82 NFKB1 (0.67) NFKB1NFKB2RELAKCNH2FNTA

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-5646136-A ADMINISTERING STEROID HAVING ANGIOSTATIC ACTIVITY TO A PATIENT DUKE UNIVERSITY (US) 1997-07-08 US disclosed