SCHEMBL28376590

SCHEMBL28376590

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.61
▸ CTSK P43235 1/20 0.61
▸ PAM P19021 1/20 0.61
▸ CTRB1 P17538 4/20 0.57
▸ TACR1 P25103 1/20 0.56
▸ GNPAT O15228 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CACNA1C Q13936 1/20 0.50
▸ SCN9A Q15858 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA13 Q8N1Q1 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
SCHEMBL28376588 1.00 CTSS (0.61) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL28376575 0.88 CTSS (0.60) CTSSCTSKPAMCTRB1TACR1
SCHEMBL5745614 0.86 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL331330 0.86 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL158613 0.86 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
SCHEMBL47716 0.86 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
SCHEMBL13255164 0.86 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL8587729 0.86 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL158612 0.86 CTSS (0.65) CTSSCTSKPAMCTRB1TACR1
Afalanine SCHEMBL5493802 0.84 CTSS (0.68) CTSSCTSKPAMCTRB1TACR1

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
CN-110885404-A Synthesis method of active bagasse xylan acetyl phenylalanine ester-g-VAc 桂林理工大学 2020-03-17 — — CN claimed
CN-110885404-A Synthesis method of active bagasse xylan acetyl phenylalanine ester-g-VAc 桂林理工大学 2020-03-17 — — CN disclosed
Send feedback