SCHEMBL27741900

SCHEMBL27741900

COC1=CC(C=CC(=O)c2ccccc2)=C(C)C(OC)C1(O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
BCHE P06276 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CYP3A4 P08684 3/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MAOB P27338 3/20 0.41
TNFRSF1A P19438 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MEN1 O00255 1/20 0.41
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 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
SCHEMBL28281346 0.74 MAPT (0.44) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27668573 0.71 MAPT (0.41) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL9198685 0.71 MAPT (0.42) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27390431 0.71 MAPT (0.46) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27741901 0.71 NPC1 (0.40) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27534182 0.70 BCHE (0.48) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL28150514 0.68 NPC1 (0.43) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27762380 0.68 MAPT (0.42) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL27968733 0.68 MAPT (0.45) MAPTBCHENPC1RAB9ACYP3A4
SCHEMBL2768944 0.65 MAPT (0.45) MAPTBCHENPC1RAB9ACYP3A4

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
CN-101448551-A Use of chalcones for the treatment of viral disorders JOHNSON & JOHNSON CONSUMER (US) 2009-06-03 CN disclosed