SCHEMBL9508249

SCHEMBL9508249

CCCCCCCC/C=C\c1ccc(C(=O)NOC2CCCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.46
TNNC1 P63316 1/20 0.42
TGFBR1 P36897 1/20 0.42
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9508257 1.00 P2RX3 (0.46) P2RX3TNNC1TGFBR1GSTP1GSTM2
SCHEMBL9508335 0.89 P2RX3 (0.42) P2RX3TGFBR1GSTP1GSTM2
SCHEMBL9508329 0.89 P2RX3 (0.42) P2RX3TGFBR1GSTP1GSTM2
SCHEMBL9508263 0.82 P2RX3 (0.48) P2RX3TGFBR1GSTP1GSTM2MEN1
SCHEMBL5020591 0.78 P2RX3 (0.50) P2RX3TGFBR1GSTP1GSTM2MEN1
SCHEMBL19167335 0.77 GSTP1 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL9508291 0.77 TNNC1 (0.50) TNNC1
SCHEMBL9508285 0.77 TNNC1 (0.50) TNNC1
SCHEMBL9504734 0.76 EPHX2 (0.37) TNNC1MEN1KMT2A
SCHEMBL9504744 0.76 EPHX2 (0.37) TNNC1MEN1KMT2A

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 4 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
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN 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