SCHEMBL8320717

SCHEMBL8320717

O=C(O)c1ccc(CCCc2ccc(O)cc2OCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.77
PTGER4 P35408 1/20 0.77
PTGER3 P43115 1/20 0.77
PTGER2 P43116 1/20 0.77
RXRA P19793 7/20 0.51
RXRB P28702 6/20 0.51
RXRG P48443 5/20 0.51
HPGD P15428 2/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
FOLH1 Q04609 1/20 0.47
SRD5A2 P31213 1/20 0.47
MAP4K4 O95819 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL8321346 0.90 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8319623 0.88 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8319420 0.87 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8322261 0.86 PTGER1 (0.70) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8326500 0.85 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8321768 0.84 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8675451 0.84 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8324836 0.83 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8459732 0.83 PTGER1 (0.66) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8325546 0.82 PTGER4 (0.68) PTGER1PTGER4PTGER3PTGER2RXRA

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
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed