SCHEMBL14779003

SCHEMBL14779003

c1ccc(CC2(c3ccccc3)OCCCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
OPRL1 P41146 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.38
KDM1A O60341 1/20 0.33

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
SCHEMBL14778741 0.96 TSHR (0.41) TSHRMAPK1SMN1; SMN2L3MBTL1MAOA
SCHEMBL14778250 0.92 TSHR (0.46) TSHRMAPK1SMN1; SMN2L3MBTL1MAOA
SCHEMBL2286730 0.80 KDM1A (0.42) TSHRMAPK1SMN1; SMN2L3MBTL1MAOA
SCHEMBL14777801 0.78 GRIN1 (0.44) TSHRMAPK1SMN1; SMN2L3MBTL1
SCHEMBL14778815 0.78 MAOA (0.43) L3MBTL1MAOAMAOBKDM1A
SCHEMBL10763758 0.78 ALDH1A1 (0.42) TSHRMAPK1SMN1; SMN2L3MBTL1MAOA
SCHEMBL2280968 0.76 TSHR (0.44) TSHRMAPK1SMN1; SMN2L3MBTL1MAOA
SCHEMBL14778102 0.76 TSHR (0.40) TSHRMAPK1SMN1; SMN2L3MBTL1MAOA
SCHEMBL6319516 0.74 MAPK1 (0.41) TSHRMAPK1SMN1; SMN2L3MBTL1
SCHEMBL14778149 0.74 MAOA (0.41) TSHRMAPK1MAOAMAOBOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed