SCHEMBL8432604

SCHEMBL8432604

CC(C)(C)NC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
FPR2 P25090 8/20 0.56
MME P08473 3/20 0.56
ACE P12821 2/20 0.56
ACE2 Q9BYF1 2/20 0.56
FOLH1 Q04609 1/20 0.55
CPA1 P15085 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGB1 P05556 1/20 0.54
ITGAV P06756 1/20 0.54
ITGA2B P08514 1/20 0.54
ITGB5 P18084 1/20 0.54

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
SCHEMBL7264947 1.00 NAALAD2 (0.60) NAALAD2L3MBTL1NPSR1FPR2MME
SCHEMBL11015626 0.87 ATM (0.68) L3MBTL1ALDH1A1
SCHEMBL5476966 0.85 NPSR1 (0.55) NAALAD2L3MBTL1NPSR1MMEACE
SCHEMBL19969196 0.85 NAALAD2 (0.78) NAALAD2L3MBTL1NPSR1FPR2MME
SCHEMBL18180178 0.85 NAALAD2 (0.78) NAALAD2L3MBTL1NPSR1FPR2MME
SCHEMBL7267826 0.84 TACR1 (0.56) L3MBTL1ACEALDH1A1ITGB3ITGA2B
SCHEMBL10429991 0.81 LMNA (0.67) NAALAD2L3MBTL1FPR2MMEFOLH1
SCHEMBL12863002 0.81 NPSR1 (0.69) NAALAD2L3MBTL1NPSR1FPR2MME
SCHEMBL17468460 0.81 NPSR1 (0.69) NAALAD2L3MBTL1NPSR1FPR2MME
SCHEMBL244885 0.81 NPSR1 (0.69) NAALAD2L3MBTL1NPSR1FPR2MME

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US claimed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed