SCHEMBL8347270

SCHEMBL8347270

CNC(C(=O)OCc1ccccc1)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSS P25774 2/20 0.54
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.46
IL1RN P18510 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL8346888 1.00 CTSL (0.54) CTSLCTSSALDH1A1MAPK1L3MBTL1
SCHEMBL8707008 0.89 ALDH1A1 (0.53) CTSLCTSSALDH1A1MAPK1L3MBTL1
SCHEMBL6959620 0.89 ALDH1A1 (0.53) CTSLCTSSALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL25265036 0.87 ALDH1A1 (0.51) CTSLCTSSALDH1A1MAPK1L3MBTL1
SCHEMBL17402229 0.87 CTSL (0.54) CTSLCTSSALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL8712756 0.87 ALDH1A1 (0.51) CTSLCTSSALDH1A1MAPK1L3MBTL1
SCHEMBL27573179 0.86 CTSL (0.56) CTSLCTSSALDH1A1ATMIL1RN
SCHEMBL19545688 0.85 CTSL (0.53) CTSLCTSSALDH1A1ATMIL1RN
SCHEMBL20804193 0.84 MMP9 (0.52) CTSLCTSSALDH1A1MAPK1L3MBTL1
SCHEMBL22346387 0.84 CTSL (0.56) CTSLCTSSALDH1A1KMT2AATM

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-5948693-A COVALENTLY BONDING SIDE CHAIN OF SELECTED AMINO ACID TO SOLID SUPPORT VIA ACID-LABILE OR PHOTO-LABILE LINKER, PROTECTING C-TERMINUS, SYNTHESIZING POLYPEPTIDE ON N-TERMINUS, DEPROTECTING C-TERMINUS AND CYCLIZING POLYPEPTIDE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-09-07 US disclosed
WO-1998046247-A1 SOLID PHASE SYNTHESIS OF IMMUNOSUPPRESSIVE AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1998-10-22 WO disclosed