SCHEMBL11686458

SCHEMBL11686458

CC(=O)N(C(=O)NC(C(=O)O)c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ATM Q13315 2/20 0.39
LTA4H P09960 1/20 0.39
ANPEP P15144 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.37
CTSS P25774 1/20 0.36

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
SCHEMBL11685611 0.80 FPR2 (0.44) FPR2NAALAD2CA1CA2ATM
SCHEMBL634437 0.77 FPR2 (0.47) FPR2NAALAD2CA1CA2ATM
SCHEMBL304497 0.77 FPR2 (0.47) FPR2NAALAD2CA1CA2ATM
SCHEMBL11685178 0.77 FPR2 (0.42) FPR2NAALAD2CA1CA2ATM
SCHEMBL11687047 0.77 CA1 (0.43) FPR2NAALAD2CA1CA2ATM
SCHEMBL11685052 0.76 NAALAD2 (0.43) FPR2NAALAD2CA1CA2ATM
SCHEMBL11688438 0.76 FPR2 (0.41) FPR2NAALAD2CA1CA2ATM
SCHEMBL11684765 0.75 HPGD (0.41) FPR2NAALAD2CA1CA2ATM
SCHEMBL4250144 0.75 SRC (0.52) FPR2NAALAD2CA1CA2ATM
SCHEMBL3376625 0.75 SRC (0.52) FPR2NAALAD2CA1CA2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4016282-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3980792-A EFFECTIVE AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE INFECTIONS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3978223-A UREIDOACETAMIDO-PENICILLINS FOR TREATING BACTERIAL INFECTIONS BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3974140-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3959258-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3939149-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3936442-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed
US-3933795-A Ureidoacetamido-penicillins Konig, Hans-Bodo (DT) 1976-01-20 US disclosed