SCHEMBL8610794

SCHEMBL8610794

COc1ccc2c(c1)c(CC(N)=O)c(C)n2Cc1ccc(Br)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.82
PLA2G2A P14555 8/20 0.80
LMNA P02545 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
TSHR P16473 2/20 0.67
CYP2C19 P33261 2/20 0.67
PMP22 Q01453 2/20 0.67
MEN1 O00255 1/20 0.67
RGS12 O14924 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
PKM P14618 1/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
GNAI1 P63096 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67
PLA2G1B P04054 1/20 0.66

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
SCHEMBL8607505 0.90 PTGS2 (1.00) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8876895 0.89 PLA2G2A (0.76) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8606366 0.89 PLA2G2A (0.80) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8607520 0.89 PTGS2 (0.82) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL7953243 0.89 PLA2G2A (1.00) PLA2G2APLA2G1B
SCHEMBL8877276 0.89 PLA2G2A (0.74) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8877441 0.87 PTGS2 (0.79) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL2996441 0.86 PTGS2 (0.77) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL3246589 0.86 PTGS2 (0.80) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8879040 0.86 PTGS2 (0.67) PTGS2PLA2G2ALMNACYP1A2CYP3A4

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-5811425-A PROSTAGLANDINS INHIBITOR FOR TREATING PAIN, FEVER, INFLAMMATION ABBOTT LABORATORIES (US) 1998-09-22 US disclosed