SCHEMBL8520073

SCHEMBL8520073

CCc1cccc2c1O[B]O2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRB2 P47870 4/20 0.40
MAOA P21397 1/20 0.38
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
MTNR1A P48039 3/20 0.32
ELANE P08246 2/20 0.31
TP53 P04637 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL8519251 0.85 MTNR1A (0.34) MTNR1AELANE
SCHEMBL8519405 0.78 CTRC (0.37) GABRA1GABRB2TP53
SCHEMBL52006 0.74
SCHEMBL8518761 0.72 CYP2A6 (0.35) HTTTP53
SCHEMBL2602430 0.69 EED (0.46) GABRA1GABRB2MTNR1A
SCHEMBL2663368 0.69 MPO (0.41) GABRA1GABRB2MAOA
SCHEMBL8520071 0.68 GABRA1 (0.40) GABRA1GABRB2MAOAHTTKCNH2
SCHEMBL8736674 0.68 MTNR1A (0.61) MTNR1A
SCHEMBL12681552 0.67 ALDH1A1 (0.46) GABRA1GABRB2MAOAHTTKCNH2
SCHEMBL10271919 0.65 MTNR1A (0.54) MAOAMTNR1A

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
EP-0679662-B1 Catalyst component for the polymerization of olefins NIPPON OIL CO LTD (JP) 1999-07-14 EP disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed