SCHEMBL5080287

SCHEMBL5080287

COc1ccc2c(c1)c(CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)c(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.65
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
TSHR P16473 2/20 0.61
CYP2C19 P33261 2/20 0.61
PMP22 Q01453 2/20 0.61
MEN1 O00255 1/20 0.61
RGS12 O14924 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
PKM P14618 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
GNAI1 P63096 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
PTGS2 P35354 7/20 0.52
PLA2G1B P04054 1/20 0.52

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
SCHEMBL5080284 1.00 PLA2G2A (0.65) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
Glucametacin SCHEMBL27641193 0.86 PTGS2 (0.72) PTGS2
Glucametacin SCHEMBL24511 0.86 PTGS2 (0.72) PTGS2
Glucametacin SCHEMBL5081097 0.86 PTGS2 (0.72) PTGS2
Glucametacin SCHEMBL30344903 0.86 PTGS2 (0.72) PTGS2
Glucametacin SCHEMBL9988209 0.81 PTGS2 (0.63) PTGS2
SCHEMBL8300729 0.80 PLA2G2A (1.00) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL1322507 0.77 LMNA (1.00) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL8296281 0.76 PLA2G2A (0.90) PLA2G2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL8292280 0.75 LMNA (0.78) PLA2G2ALMNACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242146-B2 Administering ROFLUMILAS and DICLOFENAC; antiinflammatory agents NYCOMED GMBH (DE) 2012-08-14 US disclosed
US-20080255209-A1 Combination of a NSAID and a PDE-4 inhibitor NYCOMED GMBH (DE) 2008-10-16 US disclosed