SCHEMBL11468358

SCHEMBL11468358

CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1.[Co]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.52
CYP3A4 P08684 5/20 0.51
HIF1A Q16665 3/20 0.51
CYP2D6 P10635 2/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ESR1 P03372 5/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
AR P10275 3/20 0.47
USP2 O75604 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD1 P21728 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL51667 0.98 SHBG (0.53) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL30899191 0.97 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL11449299 0.97 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL2928281 0.97 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL8856126 0.97 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL11470454 0.95 CYP3A4 (0.50) SHBGCYP3A4HIF1ACYP2D6MEN1
SCHEMBL11355410 0.88 SHBG (0.53) SHBGCYP3A4HIF1ACYP2D6MEN1
Butylamine SCHEMBL4456944 0.85 CYP3A4 (0.43) SHBGCYP3A4HIF1ACYP2D6MEN1
Trolamine SCHEMBL27711739 0.85 CYP3A4 (0.43) SHBGCYP3A4HIF1ACYP2D6MEN1
Butylamine SCHEMBL2957075 0.84 CYP3A4 (0.42) SHBGCYP3A4HIF1ACYP2D6MEN1

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-4211663-A LUBRICANTS MOBIL OIL CORPORATION (US) 1980-07-08 US disclosed