SCHEMBL8290608

SCHEMBL8290608

Cc1cccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 1.00
RXFP1 Q9HBX9 1/20 0.81
TP53 P04637 2/20 0.60
THRB P10828 1/20 0.60
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.55
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
AIP O00170 1/20 0.53
SGTA O43765 1/20 0.53
TOMM70 O94826 1/20 0.53
STIP1 P31948 1/20 0.53
PPP5C P53041 1/20 0.53
DNAJC7 Q99615 1/20 0.53
STUB1 Q9UNE7 1/20 0.53

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
SCHEMBL8288667 0.90 MAPT (1.00) MAPTRXFP1TP53THRBALDH1A1
SCHEMBL8290598 0.87 MAPT (0.80) MAPTRXFP1TP53THRBALDH1A1
SCHEMBL8288668 0.79 MAPT (0.71) MAPTRXFP1ALDH1A1HPGDKDM4E
SCHEMBL13574989 0.78 MAPT (0.72) MAPTRXFP1ALDH1A1HPGDKDM4E
SCHEMBL8289514 0.78 AIP (0.69) MAPTRXFP1ALDH1A1HPGDKDM4E
SCHEMBL8289434 0.78 RXFP1 (0.75) MAPTRXFP1TP53ALDH1A1HPGD
SCHEMBL8289505 0.77 AIP (0.68) MAPTRXFP1ALDH1A1HPGDKDM4E
SCHEMBL3914076 0.77 MAPT (0.73) MAPTRXFP1TP53THRBALDH1A1
SCHEMBL8289822 0.76 MAPT (0.68) MAPTRXFP1ALDH1A1HPGDKDM4E
SCHEMBL8290738 0.75 MAPT (1.00) MAPTRXFP1TP53THRBALDH1A1

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
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed