SCHEMBL9047490

SCHEMBL9047490

O=CC(=O)Oc1cccc2c1CCCC2C=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TAS1R2 Q8TE23 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.36
BCHE P06276 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
DRD4 P21917 1/20 0.36
SIGMAR1 Q99720 1/20 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
SCHEMBL9048489 0.86 ACHE (0.36) ACHETAS1R3TAS1R1TAS1R2CA1
SCHEMBL9047496 0.84 TAS1R3 (0.40) ACHETAS1R3TAS1R1TAS1R2CA1
SCHEMBL9050857 0.82 PTGIR (0.43) ACHESIGMAR1
SCHEMBL28069851 0.81 CA1 (0.56) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL8858478 0.79 PTGIR (0.54) KMT2A
SCHEMBL9050863 0.79 PTGIR (0.50) DRD4SIGMAR1
SCHEMBL9050353 0.76 ACHE (0.43) ACHEBCHEMAOAMAOB
SCHEMBL27734664 0.75 ADRA2A (0.47) TAS1R3TAS1R1TAS1R2SIGMAR1
SCHEMBL29062395 0.74 RXRA (0.48) KMT2A
SCHEMBL6242626 0.74 MAOA (0.50) ACHECA1CA2KMT2AMAOA

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