SCHEMBL825452

SCHEMBL825452

CCC(C)C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
GAA P10253 2/20 0.57
PGR P06401 1/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.50
PTPN1 P18031 1/20 0.50
CACNA1B Q00975 1/20 0.50

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
SCHEMBL825362 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL825544 0.81 ELANE (0.71) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL825436 0.81 KMT2A (0.54) RAB9AKMT2AMEN1ALDH1A1LMNA
SCHEMBL825370 0.81 KMT2A (0.52) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL650639 0.81 ELANE (0.50) NPC1RAB9AGAAKMT2AMEN1
SCHEMBL14996055 0.81 ELANE (0.50) NPC1RAB9AGAAKMT2AMEN1
SCHEMBL17617137 0.81 ELANE (0.50) NPC1RAB9AGAAKMT2AMEN1
SCHEMBL825359 0.78 KMT2A (0.56) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL10271633 0.78 RAB9A (0.71) NPC1RAB9ASMN1; SMN2GAAPGR
SCHEMBL19223060 0.78 KMT2A (0.73) NPC1RAB9ASMN1; SMN2GAAPGR

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
US-8142977-B2 mixture of resin which decomposes under acid under exposure to actinic radiation, acid generator FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-20080241749-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed