SCHEMBL8949489

SCHEMBL8949489

CCOC(=O)Cc1c(C)n(Cc2ccc(Br)cc2)c2ccc(Br)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.63
PLA2G2A P14555 4/20 0.60
PTGES O14684 1/20 0.54
ALOX5 P09917 1/20 0.54
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
PMP22 Q01453 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 1/20 0.50
RGS12 O14924 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
GNAI1 P63096 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8949442 0.93 PLA2G2A (0.56) PTGS2PLA2G2APTGESALOX5LMNA
SCHEMBL8292054 0.93 PLA2G2A (0.70) PTGS2PLA2G2ALMNAMAPTPKM
SCHEMBL8877441 0.90 PTGS2 (0.79) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL9230125 0.85 PTGS2 (0.79) PTGS2PLA2G2APTGESALOX5LMNA
SCHEMBL8292841 0.85 PLA2G2A (0.60) PTGS2PLA2G2ALMNAMAPTPKM
SCHEMBL8291608 0.84 PLA2G2A (0.60) PTGS2PLA2G2ALMNATSHRMAPT
SCHEMBL8296317 0.83 LMNA (0.69) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8291567 0.82 PLA2G2A (0.61) PTGS2PLA2G2ALMNAMAPTPKM
SCHEMBL27905714 0.82 PTGS2 (0.64) PTGS2PLA2G2APTGESALOX5LMNA
SCHEMBL8292611 0.81 PLA2G2A (0.60) PLA2G2ALMNAMAPTPKMKMT2A

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-5510368-A INHIBITORS OF CYCLOOXYGENASE MERCK FROSST CANADA, INC. (CA) 1996-04-23 US disclosed