SCHEMBL9136395

SCHEMBL9136395

COc1ccc2cc(CC3=C(OC(C)=O)CCCC3=O)ccc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 8/20 0.41
CFD P00746 1/20 0.37
LMNA P02545 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
PTGS1 P23219 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
XIAP P98170 1/20 0.33

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
SCHEMBL9007552 0.82 GAA (0.40) NCEH1LMNARXFP1PTGS1CYP19A1
SCHEMBL9007622 0.81 CYP19A1 (0.42) NCEH1LMNARXFP1CYP19A1CYP11B1
SCHEMBL11745958 0.70 GAA (0.61) NCEH1LMNARXFP1PTGS1CYP19A1
SCHEMBL9007503 0.69 NCEH1 (0.48) NCEH1LMNARXFP1CYP19A1CYP11B1
Methane SCHEMBL10453459 0.69 GAA (0.60) NCEH1LMNARXFP1PTGS1CYP19A1
SCHEMBL4673038 0.69 NCEH1 (0.49) NCEH1LMNARXFP1PTGS1CYP19A1
SCHEMBL20414572 0.69 CFD (0.51) NCEH1CFDLMNAPTGS1SMN1; SMN2
SCHEMBL6481148 0.68 NCEH1 (0.54) NCEH1LMNARXFP1CYP19A1SMN1; SMN2
SCHEMBL9007619 0.68 CYP19A1 (0.42) NCEH1LMNARXFP1CYP19A1CYP11B1
SCHEMBL9007497 0.68 CYP19A1 (0.49) NCEH1LMNARXFP1CYP19A1CYP11B1

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-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US disclosed