SCHEMBL633778

SCHEMBL633778

CNC(=O)NC(C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.57
NAALAD2 Q9Y3Q0 1/20 0.55
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 1/20 0.46
ANPEP P15144 1/20 0.46
ATM Q13315 1/20 0.46
FOLH1 Q04609 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL303413 1.00 FPR2 (0.57) FPR2NAALAD2ALDH1A1LMNAMAPK1
SCHEMBL890110 0.87 TACR3 (0.45) FPR2NAALAD2ALDH1A1LMNAKMT2A
SCHEMBL11394389 0.85 FOLH1 (0.61) FPR2NAALAD2ALDH1A1KMT2AATM
SCHEMBL890233 0.84 HSD17B10 (0.44) FPR2NAALAD2ALDH1A1LMNAKMT2A
SCHEMBL9194249 0.82 FPR2 (0.63) FPR2NAALAD2ALDH1A1LMNAMAPK1
SCHEMBL16144038 0.82 MMP1 (0.43) FPR2NAALAD2ALDH1A1LMNAKMT2A
SCHEMBL8920045 0.82 NAALAD2 (0.43) FPR2NAALAD2ALDH1A1LMNAKMT2A
SCHEMBL8907549 0.82 FPR2 (0.44) FPR2NAALAD2ALDH1A1LMNAATM
SCHEMBL12864508 0.81 LTA4H (0.56) FPR2NAALAD2ALDH1A1LMNAMAPK1
SCHEMBL8310215 0.81 LTA4H (0.56) FPR2NAALAD2ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419433-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-02-22 EP disclosed
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed
US-4341776-A BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-07-27 US disclosed
US-4328224-A ANTIBIOTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-05-04 US disclosed
US-4301161-A BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1981-11-17 US disclosed
US-4298605-A ANTIBIOTICS, BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1981-11-03 US disclosed
US-4229348-A Penicillanic acid derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1980-10-21 US disclosed