SCHEMBL9048581

SCHEMBL9048581

NC(=O)C(CC1CCCc2c(C(=O)C(=O)O)cccc21)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.39
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
KDM4C Q9H3R0 4/20 0.33
HTR6 P50406 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9049782 0.91 PTGIR (0.38) PTGIRTRPM8PARP1PARP2KDM4C
SCHEMBL9048929 0.82 TDP1 (0.36) PTGIRTRPM8
SCHEMBL9568075 0.81 TRPM8 (0.48) TRPM8PARP1PARP2KDM4CHTR6
SCHEMBL9048583 0.81 PTGIR (0.45) PTGIRKDM4C
SCHEMBL9048510 0.80 PTGIR (0.36) PTGIRTRPM8PARP1PARP2KDM4C
SCHEMBL9046447 0.77 KDM4C (0.39) PTGIRTRPM8KDM4C
SCHEMBL9050469 0.77 KMT2A (0.36) PTGIRTRPM8
SCHEMBL9046594 0.76 PTGIR (0.36) PTGIRTRPM8PARP1PARP2KDM4C
SCHEMBL9050656 0.76 KDM4E (0.40) PTGIRCYP3A4CYP2D6CYP2C19
SCHEMBL9050611 0.75 KMT2A (0.44) PTGIRKDM4C

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