SCHEMBL9048005

SCHEMBL9048005

NC(=O)C(C1CCc2c(cccc2C(=O)C(=O)O)C1)C(c1ccccc1)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.37
TRPM8 Q7Z2W7 4/20 0.35
NR1I2 O75469 1/20 0.35
TAOK1 Q7L7X3 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
GAA P10253 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
BLM P54132 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL9568045 0.85 TAOK1 (0.39) TBXAS1TRPM8NR1I2TAOK1ALDH1A1
SCHEMBL9048009 0.83 TBXAS1 (0.44) TBXAS1TRPM8NR1I2
SCHEMBL9048217 0.82 TRPM8 (0.34) TBXAS1TRPM8NR1I2TAOK1ABCB1
SCHEMBL9047215 0.82 TBXAS1 (0.57) TBXAS1
SCHEMBL9427232 0.76 PTGIR (0.36) TRPM8ALDH1A1
SCHEMBL9427435 0.76 PTGIR (0.33) TRPM8
SCHEMBL9048118 0.75 PTGIR (0.36) TRPM8
SCHEMBL9046447 0.72 KDM4C (0.39) TBXAS1TRPM8NR1I2TAOK1
SCHEMBL9427288 0.67 TBXAS1 (0.40) TBXAS1TRPM8NR1I2
SCHEMBL9049514 0.66 PTGIR (0.36) TBXAS1ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed