SCHEMBL8414347

SCHEMBL8414347

O=C(O)C(Cn1ncc(C(c2ccccc2)c2ccccc2)n1)Oc1cccc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.40
RXRA P19793 9/20 0.38
RXRB P28702 9/20 0.38
RXRG P48443 6/20 0.38
PRMT5 O14744 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
MCL1 Q07820 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 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
SCHEMBL8413670 0.83 PTGIR (0.38) PTGIRRXRARXRBRXRGMRGPRX4
SCHEMBL8411056 0.83 PTGIR (0.42) PTGIRRXRARXRBRXRGPRMT5
SCHEMBL8410745 0.83 PTGIR (0.51) PTGIRRXRARXRBRXRGPRMT5
SCHEMBL8414114 0.82 PTGIR (0.38) PTGIRRXRARXRBRXRGPRMT5
SCHEMBL8414258 0.80 RXRA (0.40) PTGIRRXRARXRBRXRGPRMT5
SCHEMBL8414257 0.80 PTGIR (0.38) PTGIRRXRARXRBRXRGPRMT5
SCHEMBL8414222 0.78 PTGIR (0.45) PTGIRRXRARXRBRXRGPRMT5
SCHEMBL8519037 0.78 PTGIR (0.46) PTGIRRXRARXRBRXRGPRMT5
SCHEMBL8413364 0.78 PTGIR (0.46) PTGIRRXRARXRBRXRGPRMT5
SCHEMBL8410887 0.78 PTGIR (0.50) PTGIRRXRARXRBRXRGPRMT5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US claimed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed