SCHEMBL9048908

SCHEMBL9048908

CCC=CCC(=O)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.56
GSK3B P49841 1/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CTNNB1 P35222 3/20 0.46
WNT3A P56704 3/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL9048897 1.00 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL9237990 0.82 NPC1 (0.60) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL11221360 0.79 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL11221362 0.79 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL2966649 0.78 ALDH1A1 (0.64) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL1232758 0.77
SCHEMBL30297531 0.77 GPR52 (0.60) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL758450 0.77 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL287494 0.74 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ALMNAMEN1
Methylamine SCHEMBL29014474 0.74 ALDH1A1 (0.64) ALDH1A1NPC1RAB9ALMNAMEN1

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
EP-0339599-B1 Process for producing acylaromatic compounds SUMITOMO CHEMICAL CO (JP) 1996-08-21 EP disclosed
EP-0339599-A2 Process for producing acylaromatic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-02 EP disclosed