SCHEMBL29622007

SCHEMBL29622007

Cc1cc([N+](=O)[O-])cc(C)c1Oc1ccc2c(c1)C1(CC1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.48
ADAMTS5 Q9UNA0 1/20 0.38
BCHE P06276 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1B1 P15121 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 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
SCHEMBL29076741 1.00 PGR (0.48) PGRADAMTS5BCHEALDH1A1MITF
SCHEMBL29621965 0.95 PGR (0.52) PGRADAMTS5BCHEALDH1A1CYP3A4
SCHEMBL29621911 0.95 PGR (0.55) PGRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29076750 0.95 PGR (0.52) PGRADAMTS5BCHEALDH1A1CYP3A4
SCHEMBL29076770 0.86 PGR (0.48) PGRADAMTS5ALDH1A1CYP3A4CYP2C9
SCHEMBL29621959 0.86 PGR (0.48) PGRADAMTS5ALDH1A1CYP3A4CYP2C9
SCHEMBL29621937 0.83 PGR (0.40) PGRCYP3A4CYP2C19PDE4APDE4B
SCHEMBL29621927 0.83 PGR (0.40) PGRCYP3A4CYP2C19PDE4APDE4B
SCHEMBL29621956 0.82 PGR (0.52) PGRADAMTS5ALDH1A1CYP3A4CYP2C9
SCHEMBL29622100 0.79 PGR (0.43) PGRPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116802176-A Oxindoles and methods of use thereof 阿利戈斯治疗公司 2023-09-22 CN disclosed
EP-4240722-A1 OXINDOLES AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2023-09-13 EP disclosed
WO-2022099066-A1 OXINDOLES AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed