Sugi Predict

Sugi Predict / Compounds / SCHEMBL20075862

SCHEMBL20075862

SCHEMBL20075862

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(Oc3cccc(-c4ccc(Oc5ccccc5-c5cc(C(=O)c6cc(-c7ccccc7Oc7ccccc7)cc(-c7ccccc7Oc7ccccc7)c6)cc(-c6ccccc6Oc6ccccc6)c5)cc4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ MCL1 Q07820 4/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ FABP1 P07148 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ GSTP1 P09211 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GALK1 P51570 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ PLEC Q15149 1/20 0.41
▸ SRD5A2 P31213 1/20 0.40
▸ AKR1C3 P42330 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
SCHEMBL22699489 0.95 FFAR4 (0.48) FFAR4FFAR1MCL1NCOA1NCOA3
SCHEMBL21397927 0.86 GSTP1 (0.48) FFAR4FFAR1MCL1BCL2L1GSTP1
SCHEMBL132012 0.84 BRD4 (0.51) FFAR4NCOA1NCOA3CAMKK2SRD5A2
SCHEMBL132895 0.83 AKR1C3 (0.56) FFAR4FFAR1MCL1BCL2L1FABP1
SCHEMBL11820322 0.80 NCOA1 (0.53) FFAR4FFAR1NCOA1NCOA3GSTP1
SCHEMBL11828735 0.80 NCOA1 (0.53) FFAR4FFAR1NCOA1NCOA3GSTP1
SCHEMBL11820312 0.80 NCOA1 (0.53) FFAR4FFAR1NCOA1NCOA3GSTP1
SCHEMBL11817974 0.80 NCOA1 (0.49) FFAR4FFAR1NCOA1NCOA3GSTP1
SCHEMBL11816625 0.80 NCOA1 (0.49) FFAR4FFAR1NCOA1NCOA3GSTP1
SCHEMBL132900 0.80 SRD5A2 (0.55) MCL1FABP1GSTP1SRD5A2AKR1C3

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
WO-2018069197-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 — — WO disclosed
Send feedback