SCHEMBL8520071

SCHEMBL8520071

CCc1cccc2c1OBO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRB2 P47870 4/20 0.40
MAOA P21397 1/20 0.38
PDK2 Q15119 1/20 0.33
HTT P42858 1/20 0.33
MTNR1A P48039 7/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
ELANE P08246 1/20 0.31
HDAC4 P56524 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8519249 0.85 MTNR1A (0.37) MTNR1AELANE
SCHEMBL8519403 0.78 CTRC (0.37) GABRA1GABRB2
SCHEMBL52006 0.74
SCHEMBL8518760 0.72 CYP2A6 (0.35)
SCHEMBL12681552 0.71 ALDH1A1 (0.46) GABRA1GABRB2MAOAPDK2HTT
SCHEMBL2602430 0.69 EED (0.46) GABRA1GABRB2MTNR1ASMN1; SMN2
SCHEMBL14145511 0.69 CETP (0.39) GABRA1GABRB2MAOAPDK2HTT
SCHEMBL2663368 0.69 MPO (0.41) GABRA1GABRB2MAOA
SCHEMBL23719108 0.68 GABRA1 (0.36) GABRA1GABRB2MAOAPDK2HTT
SCHEMBL12681609 0.68 PDK2 (0.38) GABRA1GABRB2MAOAPDK2HTT

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