SCHEMBL7646207

SCHEMBL7646207

COC(=O)c1ccc(C=Cc2ccc(N(C)C(=O)c3ccc(N(C)C(=O)c4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 3/20 0.47
APP P05067 1/20 0.46
NPC1 O15118 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.43
XDH P47989 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7646103 1.00 NOTUM (0.50) NOTUMPTPN1ALDH1A1APPNPC1
SCHEMBL7646203 1.00 NOTUM (0.50) NOTUMPTPN1ALDH1A1APPNPC1
SCHEMBL7533131 0.94 NOTUM (0.55) NOTUMPTPN1ALDH1A1APPNPC1
SCHEMBL7533139 0.94 NOTUM (0.55) NOTUMPTPN1ALDH1A1APPNPC1
SCHEMBL7526014 0.93 ALDH1A1 (0.44) NOTUMPTPN1ALDH1A1APPNPC1
SCHEMBL7646483 0.92 KMT2A (0.55) NOTUMPTPN1ALDH1A1NPC1LMNA
SCHEMBL7526766 0.92 KMT2A (0.55) NOTUMPTPN1ALDH1A1NPC1LMNA
SCHEMBL7646488 0.92 KMT2A (0.55) NOTUMPTPN1ALDH1A1NPC1LMNA
SCHEMBL9098471 0.91 NOTUM (0.58) NOTUMALDH1A1NPC1LMNAHPGD
SCHEMBL7037523 0.91 NOTUM (0.58) NOTUMALDH1A1NPC1LMNAHPGD

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-6479548-B2 P-(BENZOYLAMINO)STILBENE DERIVATIVES TELIK, INC. 2002-11-12 US disclosed