SCHEMBL3236338

SCHEMBL3236338

Cc1ccccc1C(=O)NCCCc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NLRP1 Q9C000 1/20 0.50
CYP1A2 P05177 1/20 0.50
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL23832296 0.92 HPGD (0.58) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3233643 0.78 TAAR1 (0.51) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL9492896 0.78 HPGD (0.77) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3235358 0.77 ESRRG (0.61) HPGDNPC1RAB9AKMT2AMEN1
SCHEMBL7564626 0.76 MAPT (0.50) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3235573 0.75 PKM (0.58) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13162414 0.75 HPGD (0.69) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL486382 0.75 TSHR (0.80) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL21443284 0.74 HPGD (0.68) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13164043 0.74 HPGD (0.68) HPGDSMN1; SMN2NPC1RAB9AKMT2A

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
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 WO disclosed