SCHEMBL8429296

SCHEMBL8429296

CC(=O)c1c(-c2ccc(NC(=N)N)cc2)ccc(CCC(=O)O)c1N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
FFAR4 Q5NUL3 4/20 0.36
FFAR1 O14842 3/20 0.36
PTGER1 P34995 2/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
PRKCZ Q05513 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
ITGAV P06756 2/20 0.32
F10 P00742 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL8532986 0.87 PTGER4 (0.42) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL8429309 0.81 FFAR1 (0.37) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL8532998 0.74 PTGER4 (0.42) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL4109710 0.70 FFAR1 (0.53) MAPTFFAR4FFAR1ITGB1ITGB3
SCHEMBL7378803 0.70 ITGB3 (0.50) MAPTPTGER1PTGER4PTGER3PTGER2
SCHEMBL4110638 0.68 NR1H4 (0.55) MAPTFFAR1ITGB3ITGA2BNR1H4
Hydrochloric Acid SCHEMBL10360584 0.67 NR1H4 (0.53) MAPTFFAR1ITGB3ITGA2BNR1H4
SCHEMBL8531196 0.66 PTGER4 (0.43) FFAR4FFAR1PTGER1PTGER4PTGER3
Acetic Acid SCHEMBL27357776 0.65 MAPT (0.55) MAPTKDM4E
SCHEMBL4104207 0.64 ITGB3 (0.53) MAPTFFAR1ITGB3ITGA2BNR1H4

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-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