SCHEMBL16152345

SCHEMBL16152345

CCCCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.40
▸ RORA P35398 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ RORB Q92753 1/20 0.40
▸ CNR2 P34972 6/20 0.40
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ CNR1 P21554 5/20 0.36
▸ MAPT P10636 2/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CASR P41180 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GCGR P47871 1/20 0.31

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
SCHEMBL11984186 0.94 CNR2 (0.47) PGRRORARORCRORBCNR2
SCHEMBL12132275 0.90 CNR2 (0.41) PGRRORARORCRORBCNR2
SCHEMBL26280691 0.89 CNR2 (0.39) PGRRORARORCRORBCNR2
SCHEMBL12132336 0.89 CNR2 (0.37) PGRRORARORCRORBCNR2
SCHEMBL12132333 0.81 RAB9A (0.40) PGRRORARORCRORBTP53
SCHEMBL11976578 0.80 RAB9A (0.41) PGRRORARORCRORBTP53
SCHEMBL12132323 0.79 RAB9A (0.40) TP53SMN1; SMN2RAB9ANPC1CNR1
SCHEMBL12132328 0.79 RAB9A (0.40) PGRRORARORCRORBTP53
SCHEMBL23604787 0.77 ABCG2 (0.47) PGRRORARORCRORBTP53
SCHEMBL19558571 0.77 CNR2 (0.48) CNR2TP53SMN1; SMN2RAB9ANPC1

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-2492276-B1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME SUMITOMO CHEMICAL CO (JP) 2014-10-08 — — EP disclosed
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