SCHEMBL10084837

SCHEMBL10084837

CCCCCCCCCCCOc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ TERT O14746 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ PLA2G4B P0C869 2/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ HDAC3 O15379 3/20 0.38
▸ HDAC4 P56524 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC7 Q8WUI4 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC10 Q969S8 3/20 0.38
▸ HDAC11 Q96DB2 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38

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
SCHEMBL585553 0.97 TSHR (0.41) GPBAR1DHODHPPARGPPARATSHR
SCHEMBL585409 0.97 TSHR (0.41) GPBAR1DHODHPPARGPPARATSHR
SCHEMBL12057429 0.92 NR5A1 (0.44) TERTTOP1
SCHEMBL584884 0.91 TSHR (0.47) GPBAR1PPARGPPARATSHRALOX5
SCHEMBL12668273 0.87 TSHR (0.41) GPBAR1DHODHTSHRALOX5TERT
SCHEMBL12057410 0.87 STAT3 (0.47) GPBAR1PPARGPPARATSHRALOX5
SCHEMBL6843058 0.86 CYP1A2 (0.48) GPBAR1DHODHTSHRTERTCYSLTR2
SCHEMBL19718136 0.85 PPARG (0.51) PPARGPPARACYSLTR2CYSLTR1HDAC3
SCHEMBL29831938 0.85 PPARG (0.51) PPARGPPARACYSLTR2CYSLTR1HDAC3
SCHEMBL14806865 0.85 TSHR (0.41) GPBAR1PPARGPPARATSHRALOX5

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-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 — — EP disclosed
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