SCHEMBL8970712

SCHEMBL8970712

C=CCOC(=O)C(=[N+]=[N-])C(=O)OCC=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTP4A3 O75365 1/20 0.31
PTP4A1 Q93096 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SNCA P37840 1/20 0.30
APP P05067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL9167074 0.88 TSHR (0.36) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL10548645 0.85 TSHR (0.38) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL10924650 0.85 CYP3A4 (0.33) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL10545349 0.81 TDP1 (0.36) CYP3A4TSHRTDP1
SCHEMBL9164800 0.80 TSHR (0.31) TSHR
SCHEMBL10561972 0.79 TSHR (0.30) TSHR
SCHEMBL177943 0.78 CYP3A4 (0.48) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL2541412 0.78 CYP3A4 (0.35) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL6545801 0.78 CYP3A4 (0.35) CYP3A4MAPTTSHRCACNA1BAPBA1
SCHEMBL7512684 0.76 CYP3A4 (0.46) CYP3A4MAPTTSHRCACNA1BAPBA1

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-5523430-A Protein farnesyl transferase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-04 US disclosed