SCHEMBL2609650

SCHEMBL2609650

CCC(C)(C)c1cc2c3c(ccc4c5c(C(C)(C)CC)cc6c7c(ccc(c1c34)c75)C(=O)OC6=O)C(=O)OC2=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ TYMS P04818 5/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AR P10275 1/20 0.30

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
SCHEMBL17859982 0.78 TYMS (0.38) ATMTYMSMEN1KMT2AAR
SCHEMBL2607526 0.73 TYMS (0.41) TYMSMEN1POLBKMT2AAR
SCHEMBL13913047 0.71 NPC1 (0.37) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL24166827 0.71 TYMS (0.42) MAPK1TYMSMEN1POLBKMT2A
SCHEMBL12296041 0.69 TYMS (0.41) TYMSMEN1POLBKMT2A
SCHEMBL32670397 0.69 TYMS (0.41) TYMSMEN1POLBKMT2A
SCHEMBL1188564 0.69 TYMS (0.41) TYMSMEN1POLBKMT2A
SCHEMBL4324585 0.69 TYMS (0.41) TYMSMEN1POLBKMT2A
SCHEMBL29580210 0.69 TYMS (0.41) TYMSMEN1POLBKMT2A
SCHEMBL21537247 0.68 GPR84 (0.34) NPC1LMNACASP3RAB9ASMN1; 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
US-20120091449-A1 ORGANIC ELECTROLUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 — — US disclosed
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