SCHEMBL9508263

SCHEMBL9508263

O=C(NOC1CCCCO1)c1ccc(C=CCCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.48
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
TGFBR1 P36897 1/20 0.40
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.37
SRC P12931 1/20 0.37
SSTR3 P32745 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC1 Q13547 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CCR3 P51677 1/20 0.36
PTPN1 P18031 1/20 0.36

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 0.84 HDAC1 (0.48) P2RX3GSTP1GSTM2MGLLMEN1
SCHEMBL11020132 0.83 P2RX3 (0.48) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL9508257 0.82 P2RX3 (0.46) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL9508249 0.82 P2RX3 (0.46) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL25197301 0.81 P2RX3 (0.49) P2RX3GSTP1GSTM2TGFBR1MGLL
SCHEMBL5020588 0.81 P2RX3 (0.49) P2RX3GSTP1GSTM2TGFBR1MGLL
SCHEMBL9504669 0.80 MGLL (0.38) MGLLMEN1KMT2A
SCHEMBL4082004 0.80 GSTP1 (0.49) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL5020590 0.79 P2RX3 (0.45) P2RX3GSTP1GSTM2MGLLMEN1
SCHEMBL8228943 0.79 P2RX3 (0.44) P2RX3GSTP1GSTM2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed