SCHEMBL716558

SCHEMBL716558

CC(C)(C)CC(C)(C)c1ccc(O)c(C(C)(C)CC(C)(C)C)c1.c1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
SHBG P04278 1/20 0.41
PGR P06401 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
MAPT P10636 1/20 0.39
DRD1 P21728 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
SLC6A4 P31645 1/20 0.39

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 0.83 SHBG (0.57) CYP3A4CYP2D6HIF1ASHBGPGR
SCHEMBL27864729 0.82 SHBG (0.64) CYP3A4CYP2D6HIF1ASHBGPGR
SCHEMBL22443105 0.82 CYP3A4 (0.38) CYP3A4CYP2D6HIF1ASHBGPGR
SCHEMBL723163 0.79 ALDH1A1 (0.44) CYP3A4CYP2D6SMN1; SMN2MEN1TP53
SCHEMBL11117940 0.78 CYP3A4 (0.48) CYP3A4CYP2D6HIF1ASHBGPGR
SCHEMBL11169807 0.75 ALDH1A1 (0.53) CYP3A4CYP2D6HIF1ASHBGPGR
SCHEMBL30702410 0.75 SHBG (0.55) CYP3A4CYP2D6HIF1ASHBGPGR
SCHEMBL14369343 0.75 ESR1 (0.52) CYP3A4CYP2D6HIF1ASHBGPGR
SCHEMBL8606013 0.75 SHBG (0.55) CYP3A4CYP2D6HIF1ASHBGPGR
Benzotriazole SCHEMBL4960284 0.73 CYP3A4 (0.39) CYP3A4CYP2D6HIF1ASHBGPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120050432-A1 INK JET RECORDING MEDIUM AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-01 US disclosed
US-20110212278-A1 INK JET RECORDING MEDIUM AND METHOD OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2011-09-01 US disclosed
US-20110206871-A1 INK JET RECORDING MEDIUM AND METHOD OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 US disclosed