SCHEMBL13508341

SCHEMBL13508341

COc1cc2c(cc1C)Cc1cc(OC)c(OC)cc1C2

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.76
CYP3A4 P08684 2/20 0.76
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
DRD5 P21918 2/20 0.46
KDM4E B2RXH2 3/20 0.41
MAOA P21397 3/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
BRD4 O60885 1/20 0.41
CHRNA7 P36544 2/20 0.39
MAOB P27338 2/20 0.39
SLC6A4 P31645 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ACHE P22303 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
SCHEMBL22953307 0.98 MAPT (0.71) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL12595457 0.98 MAPT (0.71) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL12994067 0.95 MAPT (0.68) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL29394312 0.87 CYP3A4 (1.00) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL22953335 0.87 CYP3A4 (1.00) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL4571013 0.87 CYP3A4 (1.00) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL2138785 0.87 CYP3A4 (1.00) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL6904036 0.80 MAPT (0.84) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL13456132 0.80 MAPT (0.84) MAPTCYP3A4GAASMN1; SMN2DRD1
SCHEMBL361694 0.79 MAPT (0.46) MAPTCYP3A4GAASMN1; SMN2DRD1

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
US-7666684-B2 luminescence emission MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-23 US disclosed