SCHEMBL11020132

SCHEMBL11020132

O=C(NOC1CCCCO1)c1ccc(CC=CCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.48
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
EPHX2 P34913 1/20 0.40
TGFBR1 P36897 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5020595 0.87 HDAC1 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL4082004 0.85 GSTP1 (0.49) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL5020592 0.83 P2RX3 (0.51) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL1350794 0.83 GSTP1 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL9508263 0.83 P2RX3 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL5020590 0.82 P2RX3 (0.45) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL19021370 0.82 GSTP1 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL19167335 0.82 GSTP1 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL23500769 0.81 MEN1 (0.54) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL2339350 0.80 HTR2A (0.54) MEN1KMT2ACA1CA2CA9

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
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed