SCHEMBL5502645

SCHEMBL5502645

CCC(C)c1cc2c(cc1[N+](=O)[O-])CC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.35
TDP2 O95551 1/20 0.35
AHR P35869 3/20 0.34
CMA1 P23946 2/20 0.34
ALDH1A1 P00352 2/20 0.33
EIF2AK2 P19525 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCL6 P41182 1/20 0.33
BCOR Q6W2J9 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 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
SCHEMBL5506219 0.88 PGR (0.39) PGRPOLBTDP2AHRCMA1
SCHEMBL4661785 0.86 PGR (0.43) PGRPOLBTDP2AHRCMA1
SCHEMBL5502223 0.80 PGR (0.45) PGRPOLBTDP2AHRCMA1
SCHEMBL5503130 0.78 AR (0.40) AHRCMA1EIF2AK2BMPR1BBMPR1A
SCHEMBL5504031 0.77 ALOX15 (0.41) PGRPOLBTDP2AHRCMA1
SCHEMBL5502745 0.76 PGR (0.46) PGRTDP1POLBTDP2AHR
SCHEMBL5498169 0.76 PGR (0.41) PGRTDP1POLBTDP2AHR
SCHEMBL4507222 0.73 MAPT (0.49) PGRTDP2AHRCMA1ALDH1A1
SCHEMBL9832978 0.73 PGR (0.46) PGRTDP1POLBTDP2AHR
SCHEMBL31726677 0.73 PGR (0.46) PGRTDP1TDP2AHRCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
EP-1781643-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed
WO-2006016220-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed