SCHEMBL7318723

SCHEMBL7318723

CCCCOC(=O)NCC(NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 2/20 0.52
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
CTSK P43235 8/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SYK P43405 1/20 0.50
CTSB P07858 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CAPN1 P07384 1/20 0.49
CAPN2 P17655 1/20 0.49
PRTN3 P24158 2/20 0.47
MAPT P10636 1/20 0.47
ELANE P08246 1/20 0.47

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
SCHEMBL12871476 0.87 SIRT2 (0.54)
SCHEMBL16059278 0.84 ATM (0.53) CTSSCTSLCTSKSYKCTSB
SCHEMBL22370935 0.84 ATM (0.53) CTSSCTSLCTSKSYKCTSB
SCHEMBL16059281 0.84 ATM (0.53) CTSSCTSLCTSKSYKCTSB
SCHEMBL9383829 0.81 CTSS (0.58) SMN1; SMN2LMNACTSSCTSLCTSK
SCHEMBL2723154 0.81 SYK (0.71) CTSSCTSLCTSKSYKCTSB
SCHEMBL2725000 0.81 SYK (0.71) CTSSCTSLCTSKSYKCTSB
SCHEMBL2723152 0.81 SYK (0.71) CTSSCTSLCTSKSYKCTSB
SCHEMBL30016306 0.81 CTSL (0.55) RAB9ALMNACTSSCTSLCTSK
SCHEMBL25879987 0.80 ALDH1A1 (0.57) LMNACTSSCTSLCTSKL3MBTL1

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
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed