SCHEMBL9508329

SCHEMBL9508329

CCCCCCCC/C=C\c1cccc(C(=O)NOC2CCCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
TGFBR1 P36897 1/20 0.41
TLR2 O60603 2/20 0.39
SMPD1 P17405 3/20 0.37
FAAH O00519 1/20 0.35
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9508335 1.00 P2RX3 (0.42) P2RX3TGFBR1TLR2SMPD1FAAH
SCHEMBL9508257 0.89 P2RX3 (0.46) P2RX3TGFBR1GSTP1GSTM2
SCHEMBL9508249 0.89 P2RX3 (0.46) P2RX3TGFBR1GSTP1GSTM2
SCHEMBL9508940 0.78 OXER1 (0.35) HPGD
SCHEMBL9508922 0.78 OXER1 (0.35) HPGD
SCHEMBL23500622 0.75 MEN1 (0.45) P2RX3TGFBR1GSTP1GSTM2HPGD
SCHEMBL29837066 0.75 MEN1 (0.45) P2RX3TGFBR1GSTP1GSTM2HPGD
SCHEMBL23500757 0.74 ALDH1A1 (0.45) P2RX3TGFBR1GSTP1GSTM2HPGD
SCHEMBL9508117 0.74 HDAC1 (0.56) SMPD1SMN1; SMN2
SCHEMBL9508113 0.74 HDAC1 (0.56) SMPD1SMN1; SMN2

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