SCHEMBL17013151

SCHEMBL17013151

CNc1ccc(Cc2ccc(NC(=O)OCCCCO)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
CASP1 P29466 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL24178752 0.99 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL18804816 0.93 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL18530994 0.90 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL12604864 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL14001770 0.89 PKM (0.48) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL25831257 0.87 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL4567265 0.86 L3MBTL1 (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13695374 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL984289 0.84 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13411435 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDMAPT

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-9562176-B2 Prepolymer toughener for crack-resistant adhesives for windmills SIKA TECHNOLOGY AG (CH) 2017-02-07 US disclosed
US-20150232710-A1 PREPOLYMER IMPACT RESISTOR FOR CRACK-RESISTANT ADHESIVES FOR WINDMILLS SIKA TECHNOLOGY AG (CH) 2015-08-20 US disclosed