SCHEMBL9050469

SCHEMBL9050469

NC(=O)C(CCC(c1ccccc1)c1ccccc1)C1CCCc2c(C(=O)C(=O)O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
TRPM8 Q7Z2W7 3/20 0.34
ALDH1A1 P00352 1/20 0.33
PTGIR P43119 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 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
SCHEMBL9048929 0.90 TDP1 (0.36) KMT2ATRPM8ALDH1A1PTGIRTDP1
SCHEMBL9049782 0.82 PTGIR (0.38) KMT2ATRPM8PTGIR
SCHEMBL9567950 0.81 TRPM8 (0.48) TRPM8ALDH1A1
SCHEMBL9048588 0.81 PTGIR (0.54) PTGIR
SCHEMBL9050478 0.81 PTGIR (0.39) PTGIR
SCHEMBL9047990 0.78 EPHX1 (0.36) TRPM8
SCHEMBL9427074 0.78 TRPM8 (0.35) TRPM8ALDH1A1PTGIR
SCHEMBL9048118 0.77 PTGIR (0.36) KMT2ATRPM8PTGIRMEN1
SCHEMBL9048581 0.77 PTGIR (0.39) TRPM8PTGIR
SCHEMBL9049787 0.75 PTGIR (0.55) PTGIR

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