SCHEMBL19071000

SCHEMBL19071000

O=C1C(c2cc(O)ccc2C2CC2)=C(O)CC1CC1CCOC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ XDH P47989 1/20 0.31
▸ OPRL1 P41146 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL19070317 0.93 OPRL1 (0.33) PIK3CAPIK3CDOPRL1CNR1CNR2
SCHEMBL16256581 0.87 CNR2 (0.37) PIK3CAXDHCNR1CNR2
SCHEMBL19071149 0.86 DRD4 (0.33) DRD4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19070823 0.85 HSD17B3 (0.32) DRD4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16256588 0.80 CNR2 (0.38) CNR1CNR2
SCHEMBL19070718 0.79 RIPK2 (0.36) CNR1CNR2
SCHEMBL19070272 0.78 CNR1 (0.34) CNR1CNR2
SCHEMBL19070697 0.76 ESR2 (0.39) —
SCHEMBL19071509 0.75 XDH (0.33) DRD4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16256582 0.74 CYP26A1 (0.36) PIK3CACNR1CNR2

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
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 — — EP disclosed
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