SCHEMBL4264698

SCHEMBL4264698

CC(O)c1cc(C(C)O)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
PDE10A Q9Y233 1/20 0.40
CYP1A2 P05177 1/20 0.39
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GPR3 P46089 1/20 0.37
BACE1 P56817 1/20 0.37
NCF1 P14598 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.36
DHODH Q02127 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 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
SCHEMBL30196588 0.82 CYP1A2 (0.56) CYP1A2PRNPRXFP1BACE1NCF1
SCHEMBL2538873 0.82 CYP1A2 (0.56) CYP1A2PRNPRXFP1BACE1NCF1
SCHEMBL17434164 0.81 BACE1 (0.56) ADORA2AADORA1CYP1A2BACE1NCF1
SCHEMBL6218255 0.79 TSHR (0.54) PDE10ACYP1A2DHODHTSHR
SCHEMBL28035983 0.78 ALOX15 (0.56) ADORA2AADORA1PDE10APRNPRXFP1
SCHEMBL28035984 0.78 ALOX15 (0.56) ADORA2AADORA1PDE10APRNPRXFP1
SCHEMBL12390044 0.78 CYP1A2 (0.41) ADORA2AADORA1CYP1A2PRNPRXFP1
SCHEMBL8441818 0.77 ADORA2A (0.71) ADORA2AADORA1BACE1MEN1KMT2A
SCHEMBL14907414 0.77 MAPT (0.59) CYP1A2MEN1KMT2ADHODHTSHR
SCHEMBL30647460 0.76 NCOA1 (0.57) PDE10ARXFP1MEN1KMT2ADHODH

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-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 US disclosed