Afalanine

Afalanine

SCHEMBL9603419

CC(=O)NC(Cc1ccccc1)C(=O)O.Cc1cccc(C)c1C

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
PAM P19021 1/20 0.56
ITGB1 P05556 1/20 0.56
ITGA4 P13612 1/20 0.56
GNPAT O15228 1/20 0.55
TACR1 P25103 1/20 0.54
MME P08473 2/20 0.54
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.52
CTRB1 P17538 4/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.51
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50

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
Afalanine SCHEMBL158612 0.91 CTSS (0.65) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL331330 0.91 CTSS (0.65) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL158613 0.91 CTSS (0.65) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL8587729 0.91 CTSS (0.65) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL5493802 0.89 CTSS (0.68) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL8054139 0.89 CTSS (0.63) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL8054567 0.89 CTSS (0.63) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL28376591 0.89 CTSS (0.63) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL11167745 0.89 CTSS (0.63) L3MBTL1CTSSCTSKPAMGNPAT
Afalanine SCHEMBL27738957 0.89 CTSS (0.63) L3MBTL1CTSSCTSKPAMITGB1

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-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed