Afalanine

Afalanine

SCHEMBL8054567

CC(=O)NC(Cc1ccccc1)C(=O)O.[NaH]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.63
CTSK P43235 1/20 0.63
PAM P19021 1/20 0.63
GNPAT O15228 1/20 0.62
MME P08473 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 1/20 0.58
CTRB1 P17538 4/20 0.58
NAALAD2 Q9Y3Q0 1/20 0.58
TACR1 P25103 1/20 0.57
ACE P12821 2/20 0.56
CPA1 P15085 2/20 0.56
ACE2 Q9BYF1 2/20 0.56

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 SCHEMBL158613 0.98 CTSS (0.65) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL8587729 0.98 CTSS (0.65) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL158612 0.98 CTSS (0.65) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL331330 0.98 CTSS (0.65) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL11167745 0.96 CTSS (0.63) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL28376591 0.96 CTSS (0.63) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL27738958 0.96 CTSS (0.63) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL8054139 0.96 CTSS (0.63) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL5493802 0.96 CTSS (0.68) CTSSCTSKPAMGNPATMME
Afalanine SCHEMBL27807237 0.96 CTSS (0.63) CTSSCTSKPAMGNPATMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303086-A Chiral hydroxy lactone amide compound and synthesis method thereof 温州大学 2020-06-19 CN disclosed
US-6114163-A ACETYLATING RACEMIC MIXTURE, NEUTRALIZING SOLUTION, DEACETYLING USING STEREOSPECIFIC ACYLASE TO PRODUCE L-STEREOISOMERS, SEPARATING OUT WANTED PRODUCT, ADJUSTING SOLUTION, RACEMIZING MIXTURE, AND DEACETYLATING AGAIN DEGUSSA AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-4271269-A Regeneration of an enzyme immobilizate DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1981-06-02 US disclosed
US-3956113-A REACTION PRODUCT OF CYANIDE, POSITIVE HALOGEN, AND POLYHYDROXY COMPOUNDS MAX BRENNER, 33 SPIEGELBERGSTRASSE CH-4059 BASLES, (CH) 1976-05-11 US disclosed