SCHEMBL9047478

SCHEMBL9047478

O=CC(=O)Oc1cccc2c1CCCC2C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 1/20 0.38
NR1H3 Q13133 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36

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
SCHEMBL9047483 0.86 ACHE (0.40) ACHESIGMAR1MEN1KMT2ADRD4
SCHEMBL8858393 0.83 PTGIR (0.52) NR1H3
SCHEMBL8858498 0.80 GHSR (0.45) ACHEMEN1KMT2ACA1CA2
SCHEMBL8858509 0.79 CA1 (0.39) ACHESIGMAR1MEN1KMT2ADRD4
SCHEMBL9048669 0.77 MEN1 (0.42) MEN1KMT2AOXTRAVPR1A
SCHEMBL9568094 0.75 MEN1 (0.49) MEN1KMT2A
SCHEMBL9050857 0.74 PTGIR (0.43) ACHESIGMAR1
SCHEMBL8858504 0.74 MEN1 (0.39) MEN1KMT2ANR1H3OXTRAVPR1A
SCHEMBL9047490 0.74 ACHE (0.40) ACHESIGMAR1KMT2ADRD4CA1
SCHEMBL9427328 0.72 SIGMAR1 (0.44) ACHESIGMAR1OXTRAVPR1A

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 disclosed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed