SCHEMBL7328454

SCHEMBL7328454

CCOC(=O)c1cnc2sc3c(n12)CCCCCC3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
KDM4E B2RXH2 5/20 0.71
ALDH1A1 P00352 4/20 0.71
HSD17B10 Q99714 4/20 0.71
GAA P10253 3/20 0.71
HPGD P15428 3/20 0.71
LMNA P02545 2/20 0.71
MAPK1 P28482 2/20 0.71
POLB P06746 2/20 0.71
MEN1 O00255 1/20 0.71
GLA P06280 1/20 0.71
HTT P42858 1/20 0.71
KMT2A Q03164 1/20 0.71
IDO1 P14902 5/20 0.47
DCTPP1 Q9H773 1/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL7331948 1.00 MAPT (0.71) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL7329865 0.99 MAPT (0.72) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL7330975 0.96 MAPT (0.69) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL7329661 0.81 MAPT (0.52) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL2931389 0.74 IDO1 (0.52) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL7332874 0.74 MAPT (0.46) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL17620686 0.72 ALDH1A1 (0.52) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL7335315 0.72 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL7329395 0.72 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL3601508 0.71 KDM4E (0.53) MAPTKDM4EALDH1A1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP disclosed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO disclosed