SCHEMBL4556191

SCHEMBL4556191

Cc1ccc(OCC2(C)OC2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 5/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL4450051 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL16273359 0.77 SMN1; SMN2 (0.43) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL4455689 0.76 KDM4E (0.38) L3MBTL1MAPTKDM4EALDH1A1TSHR
SCHEMBL7953349 0.71 ALDH1A1 (0.64) SMN1; SMN2L3MBTL1KMT2AMEN1HPGD
SCHEMBL262508 0.71 ALDH1A1 (0.64) SMN1; SMN2L3MBTL1KMT2AMEN1HPGD
SCHEMBL7953345 0.71 ALDH1A1 (0.64) SMN1; SMN2L3MBTL1KMT2AMEN1HPGD
SCHEMBL891407 0.70 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1KMT2AMEN1HPGD
SCHEMBL17815733 0.70 SMN1; SMN2 (0.42) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL9011867 0.69 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1KMT2AHPGD
SCHEMBL144438 0.69 KDM4E (0.53) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601448-B2 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-13 US disclosed
US-20030044669-A1 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED 2003-03-06 US disclosed
EP-1274147-A2 Polymer electrolyte membrane and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-08 EP disclosed