SCHEMBL8932406

SCHEMBL8932406

CCOC(=O)CNC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.58
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 1/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TPSAB1 Q15661 2/20 0.50
TPSD1 Q9BZJ3 2/20 0.50
TPSG1 Q9NRR2 2/20 0.50
PRSS1 P07477 1/20 0.50
FUCA1 P04066 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL11511869 1.00 PPID (0.58) PPIDMAPK1ALDH1A1CTSLCTSB
SCHEMBL3231538 0.94 PPID (0.64) PPIDMAPK1ALDH1A1CTSLCTSB
SCHEMBL5921638 0.91 MAPK1 (0.52) PPIDMAPK1ALDH1A1CTSLCTSB
SCHEMBL11437278 0.89 ALDH1A1 (0.56) MAPK1ALDH1A1CTSLCTSBCTSS
SCHEMBL11432703 0.89 ALDH1A1 (0.56) MAPK1ALDH1A1CTSLCTSBCTSS
SCHEMBL6900428 0.88 PPID (0.60) PPIDMAPK1ALDH1A1CTSLCTSB
SCHEMBL26308845 0.86 CTSL (0.55) PPIDMAPK1ALDH1A1CTSLCTSB
SCHEMBL8264787 0.85 ALDH1A1 (0.59) MAPK1ALDH1A1CTSLCTSBCTSS
SCHEMBL10081124 0.85 LMNA (0.63) MAPK1ALDH1A1CTSLCTSBCTSS
SCHEMBL6932926 0.85 ALDH1A1 (0.53) MAPK1ALDH1A1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996027370-A1 FREE RADICAL SCAVENGER MOLECULES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-09-12 WO disclosed
US-4559172-A USING HYDROXY-SUBSTITUED AROMATIC OXIME ESTER Nitto Boseki (JP) 1985-12-17 US disclosed
EP-0127342-A2 Process for acylation with novel acylating agent NITTO BOSEKI CO., LTD. (JP) 1984-12-05 EP disclosed
US-4331592-A Process for the preparation of carboxylic acid amides and peptides HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed
US-4173563-A PEPTIDIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-11-06 US disclosed
US-4120853-A Esterification of carboxylic acids by contact with a phosphonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-10-17 US disclosed
US-4059603-A Esterification of carboxylic acids by contact with a phosphonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-22 US disclosed
US-3974219-A PREPARATION PEPTIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 US disclosed