SCHEMBL1844334

SCHEMBL1844334

CCCCOCCOC(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.61
NPC1 O15118 9/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
RECQL P46063 1/20 0.61
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
HPGD P15428 5/20 0.58
CASP1 P29466 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
MCL1 Q07820 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL3765824 0.91 RAB9A (0.69) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL17346621 0.89 NPC1 (0.72) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL10596423 0.89 NPC1 (0.72) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL26103539 0.88 NPC1 (0.62) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL11778697 0.86 NPC1 (0.64) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL8600999 0.86 RAB9A (0.67) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL10599124 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL8600460 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL1837292 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2RECQLLMNA
SCHEMBL8076542 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2RECQLLMNA

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-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed