SCHEMBL11117940

SCHEMBL11117940

CC(C)(C)CC(C)(C)CC(C)(C)c1ccc(O)c(C(C)(C)CC(C)(C)CC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 2/20 0.48
HIF1A Q16665 1/20 0.48
SHBG P04278 1/20 0.47
ESR1 P03372 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
AR P10275 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD1 P21728 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL768277 0.91 SHBG (0.57) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL11169807 0.82 ALDH1A1 (0.53) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL14369343 0.82 ESR1 (0.52) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL8606013 0.82 SHBG (0.55) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL30702410 0.82 SHBG (0.55) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL27776956 0.79 RORC (0.47) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL716558 0.78 CYP3A4 (0.42) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL14369344 0.77 SHBG (0.58) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL4629051 0.77 SHBG (0.57) CYP3A4CYP2D6HIF1ASHBGESR1
SCHEMBL10981747 0.76 SHBG (0.52) CYP3A4CYP2D6HIF1ASHBGESR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049166-B1 HYDROLYTICALLY STABLE DIPHOSPHITES USEFUL AS ANTIOXIDANTS UNIROYAL, INC. (US) 1984-09-26 EP disclosed
US-4384062-A Hydrolytically stable diphosphites useful as antioxidants UNIROYAL, INC. (US) 1983-05-17 US disclosed
US-4341721-A ANTIOXIDANT UNIROYAL, INC. (US) 1982-07-27 US disclosed
EP-0049166-A1 Hydrolytically stable diphosphites useful as antioxidants UNIROYAL, INC. (US) 1982-04-07 EP disclosed