SCHEMBL11564699

SCHEMBL11564699

CCCC1(C)Cc2cccc(O)c2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
OPRD1 P41143 1/20 0.35
AKT1 P31749 5/20 0.34
LMNA P02545 1/20 0.33
DRD3 P35462 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 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
SCHEMBL11567342 0.87 HTR1A (0.38) DRD2OPRD1AKT1LMNABCL2L1
SCHEMBL8469239 0.84 POLB (0.33) AKT1LMNA
SCHEMBL19954245 0.84 POLB (0.33) AKT1LMNA
SCHEMBL743626 0.76 LMNA (0.51) LMNA
SCHEMBL29963948 0.76 LMNA (0.51) LMNA
SCHEMBL15485106 0.76 LMNA (0.51) LMNA
SCHEMBL29963667 0.76 DRD2 (0.38) DRD2OPRD1LMNADRD3
SCHEMBL18475190 0.73 CYP2D6 (0.41) DRD2LMNA
SCHEMBL11075163 0.69 AKT1 (0.46) DRD2AKT1DRD3
SCHEMBL11076554 0.68 AKT1 (0.50) AKT1LMNA

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
EP-0001486-A2 Process for preparing 2,3-dihydro-2,2-dimethyl-7-benzofuranol and benzodioxole intermediate therefor FMC Corporation (US) 1979-04-18 EP disclosed
US-4118400-A THERMAL REARRANGEMENT OF 2-ISOPROPYL-1.3-BENZODIOXOLE, ACID CATALYST FMC CORPORATION (US) 1978-10-03 US disclosed