SCHEMBL8414244

SCHEMBL8414244

O=C(O)C(Cc1c[nH]cn1)Oc1cccc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.44
RXRB P28702 9/20 0.44
RXRG P48443 6/20 0.44
MRGPRX4 Q96LA9 1/20 0.40
MCL1 Q07820 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
NLRP3 Q96P20 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
SSTR4 P31391 1/20 0.35
PRMT5 O14744 1/20 0.35

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
SCHEMBL8411289 0.81 PPARG (0.34) PPARGPPARA
SCHEMBL8414356 0.78 RXRB (0.38) RXRARXRBRXRGMRGPRX4MCL1
SCHEMBL9377874 0.77 RXRA (0.49) RXRARXRBRXRGMRGPRX4MCL1
SCHEMBL8411066 0.75 RXRA (0.39) RXRARXRBRXRGMRGPRX4MCL1
SCHEMBL8410737 0.74 RXRA (0.39) RXRARXRBRXRGMRGPRX4MCL1
SCHEMBL8411148 0.74 RXRA (0.39) RXRARXRBRXRGMRGPRX4MCL1
SCHEMBL8564730 0.74 RXRA (0.46) RXRARXRBRXRGMRGPRX4MCL1
SCHEMBL8564734 0.74 RXRA (0.46) RXRARXRBRXRGMRGPRX4MCL1
SCHEMBL8410710 0.74 RXRA (0.43) RXRARXRBRXRGMRGPRX4MCL1
SCHEMBL8484664 0.74 MMP1 (0.42)

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