SCHEMBL9729611

SCHEMBL9729611

COC(C)Cc1ccc(C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PYCR1 P32322 1/20 0.38
PSMB5 P28074 2/20 0.37
PSMB8 P28062 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL3031236 0.79 KDM4E (0.47) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL8686865 0.76 KMT2A (0.36) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL27216128 0.76 KMT2A (0.36) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL8686434 0.76 KMT2A (0.36) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL3634469 0.76 KDM4E (0.45) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL10894087 0.76 KDM4E (0.45) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL9729257 0.76 TAAR1 (0.42) KDM4ESLC6A2SLC6A4KMT2A
SCHEMBL114247 0.74 KDM4E (0.44) KDM4EALDH1A1NR3C1PGRNR3C2
Hydrochloric Acid SCHEMBL3638959 0.74 KDM4E (0.44) KDM4EALDH1A1NR3C1PGRNR3C2
SCHEMBL25916270 0.74 NR3C1 (0.49) KDM4EALDH1A1NR3C1PGRNR3C2

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed