SCHEMBL8770174

SCHEMBL8770174

Cc1c(Sc2ccccc2)n(CCOCCO)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TK2 O00142 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35

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
Hept SCHEMBL384288 0.89 UPP1 (0.48) UPP1TSHRMAPK1NPSR1MEN1
SCHEMBL7215341 0.84 ALDH1A1 (0.44) TSHRMAPK1NPSR1MEN1KMT2A
SCHEMBL2036799 0.81 UPP1 (0.39) UPP1TSHRMAPK1NPSR1MEN1
Hept SCHEMBL1732034 0.80 UPP1 (0.40) UPP1TSHRMAPK1NPSR1MEN1
SCHEMBL7218800 0.79 ALDH1A1 (0.38) TSHRMAPK1NPSR1MEN1KMT2A
SCHEMBL2789609 0.79 UPP1 (0.40) UPP1TSHRALDH1A1HPGD
SCHEMBL7213302 0.78 MAPK1 (0.44) TSHRMAPK1NPSR1MEN1KMT2A
SCHEMBL7015162 0.77 ALDH1A1 (0.58) UPP1TSHRMAPK1NPSR1MEN1
SCHEMBL9353768 0.77 UPP1 (0.39) UPP1
SCHEMBL9357959 0.77 UPP1 (0.39) UPP1TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794793-A1 COMPOSITION FOR PREVENTION AND TREATMENT OF HIV-1 INFECTION COMPRISING AT LEAST TWO DIFFERENT HIV-1 REVERSE TRANSCRIPTASE INHIBITORS REGA INSTITUTE (BE) 1997-09-17 EP disclosed
WO-1996016675-A2 COMPOSITION FOR PREVENTION AND TREATMENT OF HIV-1 INFECTION COMPRISING AT LEAST TWO DIFFERENT HIV-1 REVERSE TRANSCRIPTASE INHIBITORS REGA INSTITUTE (BE) 1996-06-06 WO disclosed