SCHEMBL3520351

SCHEMBL3520351

O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12OCCO2.O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.55
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
KMT2A Q03164 1/20 0.47
TGM2 P21980 1/20 0.47
CES1 P23141 1/20 0.47
TDP2 O95551 2/20 0.46
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL5225323 0.91 PGR (0.65) PGRKMT2ATDP2
SCHEMBL3522216 0.86 PGR (0.63) PGRKMT2A
SCHEMBL3521129 0.83 MAOA (0.71) PGRMAOAMAOBTGM2CES1
SCHEMBL9098061 0.78 KMT2A (0.61) PGRMAOAMAOBKMT2ATDP2
SCHEMBL24270339 0.72 KMT2A (0.78) PGRKMT2A
SCHEMBL5337809 0.71 GAA (0.62) PGRKMT2A
SCHEMBL4370977 0.70 CES1 (0.73) MAOAMAOBTGM2CES1TDP2
SCHEMBL3521399 0.70 PGR (1.00) PGRMAOBPDE3BPDE3A
Ammonia Solution, Strong SCHEMBL27558922 0.69 PGR (0.97) PGRMAOBPDE3BPDE3A
SCHEMBL2789935 0.69 MAOA (1.00) MAOAMAOBKMT2ATGM2CES1

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-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed