SCHEMBL21821559

SCHEMBL21821559

CCCCCCCSc1nc(Nc2ccc(O)c(C(C)(C)C)c2)nc(SCCCCCCC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ NR1H4 Q96RI1 3/20 0.35
▸ PPARG P37231 1/20 0.35
▸ GPR84 Q9NQS5 7/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL3284127 1.00 CCNE1 (0.36) CCNE1CDK2NR1H4PPARGGPR84
SCHEMBL9418551 1.00 CCNE1 (0.36) CCNE1CDK2NR1H4PPARGGPR84
SCHEMBL21821604 0.89 CSF1R (0.35) CCNE1CDK2NR1H4PPARGGPR84
SCHEMBL11702871 0.87 PTGS1 (0.38) CCNE1CDK2GPR84NPSR1GAA
SCHEMBL9870699 0.87 PTGS1 (0.38) CCNE1CDK2GPR84NPSR1GAA
SCHEMBL11360256 0.87 PTGS1 (0.38) CCNE1CDK2GPR84NPSR1GAA
SCHEMBL38965 0.87 PTGS1 (0.38) CCNE1CDK2GPR84NPSR1GAA
SCHEMBL11242060 0.87 PTGS1 (0.38) CCNE1CDK2GPR84NPSR1GAA
SCHEMBL9120614 0.86 PTGS1 (0.37) CCNE1CDK2GPR84NPSR1GAA
SCHEMBL39372 0.85 PTGS1 (0.38) CCNE1CDK2GPR84NPSR1GAA

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-2888088-B1 METHOD OF IMPROVING SURFACE CURE IN DIGITAL FLEXOGRAPHIC PRINTING PLATES MACDERMID GRAPHICS SOLUTIONS LLC (US) 2020-04-08 — — EP claimed
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