SCHEMBL7972444

SCHEMBL7972444

CC1(C)CCc2cc(OB(Oc3ccc4c(c3)CCC(C)(C)O4)Oc3ccc4c(c3)CCC(C)(C)O4)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
PLCG2 P16885 1/20 0.45
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DAGLA Q9Y4D2 4/20 0.42
ABHD6 Q9BV23 2/20 0.42
PKLR P30613 1/20 0.42
COXFA4 O00483 1/20 0.42
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TRIM24 O15164 1/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
PDE10A Q9Y233 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7931244 0.88 MAPT (0.43) MAPTPLCG2PKMNPC1RAB9A
SCHEMBL21950002 0.84 MAPT (0.55) MAPTPLCG2PKMNPC1RAB9A
SCHEMBL4017321 0.83 MAPT (0.46) MAPTPLCG2PKMNPC1RAB9A
SCHEMBL16082385 0.80 SCN9A (0.45) MAPTPLCG2PKMNPC1RAB9A
SCHEMBL8894557 0.77 MAPT (0.47) MAPTPLCG2PKMNPC1RAB9A
SCHEMBL17430831 0.77 HRH3 (0.49) MAPTPLCG2PKMNPC1RAB9A
SCHEMBL6849624 0.75 PKM (0.49) MAPTPLCG2PKMNPC1RAB9A
SCHEMBL27498274 0.75 MAOB (0.56) DAGLAABHD6KDM1AMAOAMAOB
SCHEMBL669764 0.73 MAPT (0.47) MAPTPLCG2PKMNPC1RAB9A
SCHEMBL3042985 0.73 MAPT (0.47) MAPTPLCG2PKMNPC1RAB9A

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-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed