SCHEMBL8414044

SCHEMBL8414044

O=C(O)C(CCc1ncco1)Oc1cccc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.43
RXRB P28702 9/20 0.43
RXRG P48443 6/20 0.43
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.38
MCL1 Q07820 4/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
NLRP3 Q96P20 1/20 0.34
SSTR4 P31391 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL8414280 0.82
SCHEMBL8410710 0.80 RXRA (0.43) RXRARXRBRXRGPTGESALOX5
SCHEMBL8411313 0.77 POLB (0.42) RXRARXRBRXRGPTGESALOX5
SCHEMBL9377874 0.75 RXRA (0.49) RXRARXRBRXRGPTGESALOX5
SCHEMBL13418809 0.74 PPARG (0.51) RXRARXRBRXRGPPARGPPARA
SCHEMBL8520584 0.73 RXRA (0.39) RXRARXRBRXRGPTGESALOX5
SCHEMBL8414350 0.73 RXRA (0.42) RXRARXRBRXRGPTGESALOX5
SCHEMBL8564730 0.72 RXRA (0.46) RXRARXRBRXRGPTGESALOX5
SCHEMBL8564734 0.72 RXRA (0.46) RXRARXRBRXRGPTGESALOX5
SCHEMBL8414244 0.71 RXRA (0.44) RXRARXRBRXRGPTGESALOX5

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
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