SCHEMBL4691571

SCHEMBL4691571

COc1ccc(-c2ccc(OCc3coc(C(=O)O)c3C(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.53
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR4A2 P43354 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ADAMTS4 O75173 1/20 0.42
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4691574 0.84 PTGER4 (0.47) PTGER4POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3537638 0.75 PTGER4 (0.84) PTGER4
SCHEMBL3542072 0.71 PTGER4 (0.80) PTGER4POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3531262 0.69 PTGER4 (1.00) PTGER4
SCHEMBL10892168 0.68 NR4A2 (0.53) POLBNPC1RAB9ASMN1; SMN2NR4A2
SCHEMBL4690776 0.68 PTGER4 (0.43) PTGER4POLBAPEX1TDP1L3MBTL1
SCHEMBL3977567 0.67 NR4A2 (0.51) POLBNPC1RAB9ASMN1; SMN2NR4A2
SCHEMBL11464784 0.67 NR4A2 (0.51) POLBNPC1RAB9ASMN1; SMN2NR4A2
SCHEMBL4692290 0.66 PTGER4 (0.71) PTGER4
SCHEMBL4691702 0.66 PTGER4 (0.59) PTGER4POLBNPC1RAB9ASMN1; SMN2

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-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP claimed