SCHEMBL28529274

SCHEMBL28529274

CCC(Br)C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
CYP17A1 P05093 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NAAA Q02083 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL16369093 0.82 ALDH1A1 (0.54) CYP19A1CYP17A1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16369135 0.82 ALDH1A1 (0.46) CYP19A1CYP17A1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL786179 0.81 CYP19A1 (0.46) CYP19A1CYP17A1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL958155 0.80 CYP19A1 (0.48) CYP19A1CYP17A1ALDH1A1NAAANPSR1
SCHEMBL14673993 0.80 CYP17A1 (0.50) CYP19A1CYP17A1ALDH1A1NAAANPSR1
SCHEMBL4741915 0.79 CYP19A1 (0.42) CYP19A1CYP17A1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20691791 0.79 CYP19A1 (0.42) CYP19A1CYP17A1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27736446 0.77 ALDH1A1 (0.42) CYP19A1CYP17A1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9608681 0.76 CYP19A1 (0.50) CYP19A1CYP17A1ALDH1A1NAAANPSR1
SCHEMBL27437399 0.76 CYP19A1 (0.50) CYP19A1CYP17A1ALDH1A1NAAANPSR1

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
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed