SCHEMBL4461068

SCHEMBL4461068

Cc1ccc(OCC2(C)CO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
WDR5 P61964 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 2/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2836200 0.88 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9774630 0.85 PLA2G7 (0.40) DRD2DRD4DRD3L3MBTL1MAOB
SCHEMBL1227914 0.85 APP (0.42)
SCHEMBL2312518 0.85 DRD2 (0.40) DRD2DRD4DRD3L3MBTL1MAOB
SCHEMBL667989 0.84 KCNA3 (0.41) KCNH2ALDH1A1LMNA
SCHEMBL19091769 0.84 KCNA3 (0.41) KCNH2ALDH1A1LMNA
SCHEMBL12902148 0.83 LTA4H (0.46) CYP1A2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL6621375 0.82 ALDH1A1 (0.45) MAOBMAPTALDH1A1
SCHEMBL1245425 0.82 SMN1; SMN2 (0.45) L3MBTL1MAOBCYP1A2MAPTALDH1A1
SCHEMBL6621380 0.82 ALDH1A1 (0.45) MAOBMAPTALDH1A1

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