SCHEMBL8425830

SCHEMBL8425830

[CH2]Sc1cccc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
NFE2L2 Q16236 7/20 0.44
HTR1A P08908 1/20 0.43
HTR3A P46098 1/20 0.43
CYP1A1 P04798 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1B1 Q16678 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PRMT1 Q99873 1/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5026209 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A1
SCHEMBL7055971 0.81 CYP1A1 (0.41) SMN1; SMN2NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL8425831 0.81 CYP1A2 (0.47) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A1
SCHEMBL515024 0.80 CA1 (0.55) HTR1AHTR3ACA12CA1CA2
SCHEMBL5026211 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A1
SCHEMBL9109781 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A1
SCHEMBL19982800 0.79 SMN1; SMN2 (0.41) SMN1; SMN2NFE2L2HTR1AHTR3ACYP1A1
SCHEMBL25434306 0.77 CA1 (0.61) SMN1; SMN2NFE2L2CA12CA1CA2
SCHEMBL151213 0.77 CA1 (0.61) SMN1; SMN2NFE2L2CA12CA1CA2
SCHEMBL27753904 0.77 CA1 (0.61) SMN1; SMN2NFE2L2CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed