SCHEMBL9050860

SCHEMBL9050860

O=C(CO)Oc1cccc2c1CCCC2CO

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.45
KDM4C Q9H3R0 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 2/20 0.40

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
SCHEMBL9050869 0.88 PTGIR (0.53) PTGIRSIGMAR1
SCHEMBL9050857 0.84 PTGIR (0.43) PTGIRKDM4CSIGMAR1ACHE
SCHEMBL9050358 0.84 PTGIR (0.43) PTGIRACHE
SCHEMBL9047496 0.82 TAS1R3 (0.40) PTGIRACHE
SCHEMBL8411211 0.81 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL8019430 0.80 SIGMAR1 (0.57) SIGMAR1
SCHEMBL8811492 0.80 SIGMAR1 (0.57) SIGMAR1
SCHEMBL9050868 0.80 PTGIR (0.64) PTGIRKDM4C
SCHEMBL9427328 0.80 SIGMAR1 (0.44) PTGIRKDM4CSIGMAR1ACHE
SCHEMBL9048486 0.80 PTGIR (0.55) PTGIRKDM4CSIGMAR1

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-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP disclosed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed