SCHEMBL9258399

SCHEMBL9258399

CC1=CC[C@]2(C)C(=O)CC[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.39
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
SERPINA6 P08185 1/20 0.38
GUSB P08236 1/20 0.38
G6PD P11413 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
TSHR P16473 1/20 0.38
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
OR51E2 Q9H255 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9258408 1.00 CYP19A1 (0.39) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL9258403 1.00 CYP19A1 (0.39) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL25419852 0.80 ALDH1A1 (0.35) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL901277 0.78 CYP19A1 (0.44) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL4812573 0.74 CYP19A1 (0.40) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL11042029 0.74 CYP19A1 (0.66) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL3988004 0.74 CYP19A1 (0.66) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL901141 0.72 CYP19A1 (0.35) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL4809709 0.72 CYP19A1 (0.42) CYP19A1
SCHEMBL15121423 0.68 CYP19A1 (0.54) CYP19A1CYP3A4MEN1LMNASHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407901-A Herbicidal oxatricyclic ethers E. I. DU PONT DE NEMOURS (US) 1995-04-18 US disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed