SCHEMBL9833266

SCHEMBL9833266

COc1cccc(C(C)N2CCC2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.59
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP19A1 P11511 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
HSD17B2 P37059 1/20 0.43
ALOX5 P09917 1/20 0.43
POLB P06746 1/20 0.42
ROCK2 O75116 1/20 0.42
FAAH O00519 1/20 0.41
ACHE P22303 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM5 P41594 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1641492 0.78 HSD11B1 (0.53) HSD11B1SIGMAR1HSD17B2FAAHOPRM1
SCHEMBL28332692 0.77 HSD11B1 (0.49) HSD11B1CYP11B1CYP11B2CYP19A1
SCHEMBL9985679 0.75 HSD11B1 (1.00) HSD11B1
SCHEMBL959486 0.74 HSD11B1 (0.69) HSD11B1OPRM1OPRK1
SCHEMBL3644756 0.74 HSD11B1 (0.69) HSD11B1OPRM1OPRK1
SCHEMBL3645417 0.74 HSD11B1 (0.69) HSD11B1OPRM1OPRK1
SCHEMBL10441281 0.74 MAPT (0.50) HSD11B1SIGMAR1POLBACHEOPRM1
SCHEMBL17912905 0.74 ROCK2 (0.50) HSD11B1POLBROCK2KCNH2
SCHEMBL17912904 0.74 ROCK2 (0.50) HSD11B1POLBROCK2KCNH2
SCHEMBL16429900 0.74 HSD11B1 (0.52) HSD11B1POLB

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
EP-0209352-B1 PROCESS AND INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-05-02 EP disclosed