SCHEMBL1838367

SCHEMBL1838367

CCOc1ccc(OC(=O)NC2CCC(CC3CCC(NC(=O)Oc4ccc(OCC)cc4)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.46
BCHE P06276 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL1834617 0.86 RAB9A (0.49) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7781314 0.82 ALDH1A1 (0.69) RAB9AALDH1A1
SCHEMBL15105537 0.82 TRPV1 (0.52) RAB9ANPC1L3MBTL1LMNAMEN1
SCHEMBL13327101 0.81 MAPT (0.51) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1952441 0.80 THRB (0.50) CNR2
SCHEMBL22627304 0.79 ALDH1A1 (0.64) RAB9AALDH1A1
SCHEMBL16939919 0.78 ALDH1A1 (0.52) RAB9AMEN1KMT2AALDH1A1
SCHEMBL22627197 0.77 ALDH1A1 (0.61) RAB9AALDH1A1
SCHEMBL25490325 0.76 ALDH1A1 (0.56) RAB9AKMT2AALDH1A1
SCHEMBL15920175 0.74 NPY2R (0.52) RAB9ALMNAMEN1KMT2AALDH1A1

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