SCHEMBL4455696

SCHEMBL4455696

Cc1cccc(OCC2(C)CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 1/20 0.44
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11283674 0.83 MAOB (0.49) LMNAMAOBALDH1A1TSHRMAPK1
SCHEMBL13726105 0.82 ACHE (0.43) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL11279180 0.82 LMNA (0.46) DRD2DRD4KDM4EKMT2ALMNA
SCHEMBL4461068 0.80 DRD2 (0.40) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL667989 0.80 KCNA3 (0.41) TDP1LMNAALDH1A1ALOX15
SCHEMBL19091769 0.80 KCNA3 (0.41) TDP1LMNAALDH1A1ALOX15
SCHEMBL13725526 0.79 ACHE (0.47) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL13724631 0.76 ACHE (0.44) DRD2DRD4DRD3ACHEL3MBTL1
SCHEMBL16949860 0.76 ALOX5 (0.39) DRD3KDM4ERAB9ATDP1KMT2A
SCHEMBL12818881 0.75 IGF1R (0.42) DRD2DRD4DRD3ACHEL3MBTL1

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