SCHEMBL6090343

SCHEMBL6090343

Cc1cccc(COc2cccc(OCc3ccc(C(C)C)cc3)c2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
MRGPRX4 Q96LA9 2/20 0.53
NR4A2 P43354 4/20 0.47
RXRG P48443 1/20 0.47
SLC26A4 O43511 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
KMT2A Q03164 1/20 0.44
BCL2 P10415 1/20 0.44
MDM2 Q00987 1/20 0.44
MCL1 Q07820 1/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL6088371 0.88 RXRA (0.46) RXRARXRBMRGPRX4NPC1RAB9A
SCHEMBL6088680 0.88 NR4A2 (0.62) RXRARXRBMRGPRX4NR4A2RXRG
SCHEMBL4450809 0.87 NR4A2 (0.58) MRGPRX4NR4A2SLC26A4KDM4ESMN1; SMN2
SCHEMBL6092100 0.86 RXRA (0.51) RXRARXRBMRGPRX4NR4A2RXRG
SCHEMBL6087956 0.85 PTGER4 (0.55) MRGPRX4NR4A2SLC26A4BCL2MAOB
SCHEMBL6087927 0.84 MRGPRX4 (0.53) MRGPRX4NR4A2SLC26A4NPC1RAB9A
SCHEMBL6091321 0.83 NR4A2 (0.66) RXRARXRBMRGPRX4NR4A2RXRG
SCHEMBL6088674 0.82 SLC26A4 (0.63) NR4A2SLC26A4NPC1POLBRAB9A
SCHEMBL6087987 0.82 SLC26A4 (0.46) MRGPRX4NR4A2SLC26A4NPC1POLB
SCHEMBL6089332 0.80 NR4A2 (0.67) MRGPRX4NR4A2SLC26A4NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed