SCHEMBL22699489

SCHEMBL22699489

O=C(c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1)c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccc(-c4ccc(Oc5ccccc5-c5cc(C(=O)c6cc(-c7ccccc7Oc7ccccc7)cc(-c7ccccc7Oc7ccccc7)c6)cc(-c6ccccc6Oc6ccccc6)c5)cc4)cc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 5/20 0.48
▸ GSTP1 P09211 1/20 0.45
▸ SRD5A2 P31213 2/20 0.44
▸ CAMKK2 Q96RR4 2/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ FEN1 P39748 3/20 0.42
▸ FFAR1 O14842 1/20 0.40

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
SCHEMBL20075862 0.95 FFAR4 (0.47) FFAR4GSTP1SRD5A2CAMKK2NCOA1
SCHEMBL132012 0.89 BRD4 (0.51) FFAR4SRD5A2CAMKK2PTGS2BRD4
SCHEMBL21397927 0.88 GSTP1 (0.48) FFAR4GSTP1SRD5A2CAMKK2MCL1
SCHEMBL132900 0.84 SRD5A2 (0.55) GSTP1SRD5A2MCL1
SCHEMBL134237 0.84 SRD5A2 (0.59) GSTP1SRD5A2MCL1
SCHEMBL12551362 0.77 HPGD (0.46) FFAR4CAMKK2PTGS2BRD4NCOA1
SCHEMBL19506965 0.77 FFAR4 (0.46) FFAR4SRD5A2CAMKK2PTGS2BRD4
SCHEMBL132895 0.75 AKR1C3 (0.56) FFAR4SRD5A2MCL1FEN1FFAR1
SCHEMBL9483097 0.75 NCOA1 (0.62) FFAR4SRD5A2PTGS2NCOA1NCOA3
SCHEMBL10711068 0.74 NCOA1 (0.69) FFAR4GSTP1PTGS2BRD4NCOA1

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-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 — — EP disclosed
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