SCHEMBL9048929

SCHEMBL9048929

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 4/20 0.35
PTGIR P43119 3/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CACNA1G O43497 1/20 0.32

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
SCHEMBL9050469 0.90 KMT2A (0.36) TDP1TRPM8PTGIRKMT2AALDH1A1
SCHEMBL9048581 0.82 PTGIR (0.39) TRPM8PTGIR
SCHEMBL9567968 0.80 TRPM8 (0.49) TDP1TRPM8ALDH1A1
SCHEMBL9048942 0.80 PTGIR (0.55) PTGIR
SCHEMBL9048934 0.80 PTGIR (0.39) TDP1PTGIR
SCHEMBL9047990 0.79 EPHX1 (0.36) TRPM8
SCHEMBL9427074 0.79 TRPM8 (0.35) TRPM8PTGIRALDH1A1
SCHEMBL9427232 0.77 PTGIR (0.36) TDP1TRPM8PTGIRKMT2AALDH1A1
SCHEMBL9049782 0.77 PTGIR (0.38) TRPM8PTGIRKMT2A
SCHEMBL9048469 0.75 TRPM8 (0.34) TDP1TRPM8ALDH1A1LMNA

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