SCHEMBL13869459

SCHEMBL13869459

CCCc1ccc2c(ccc3oc(=O)c(-c4cccc(-c5cccc(-c6cc7c(ccc8cc(CCC)ccc87)oc6=O)n5)n4)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.41
▸ KDM4E B2RXH2 8/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 7/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SIRT2 Q8IXJ6 3/20 0.39
▸ SIRT1 Q96EB6 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13869839 0.88 KDM4E (0.37) PIM1KDM4EALDH1A1MAPTHPGD
SCHEMBL13869640 0.87 MAOB (0.44) PIM1KDM4EALDH1A1MAPTHPGD
SCHEMBL13869476 0.86 KDM4E (0.37) PIM1KDM4EALDH1A1MAPTHPGD
SCHEMBL13869237 0.86 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869284 0.85 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869388 0.83 GPR55 (0.45) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869319 0.83 MAOB (0.42) PIM1KDM4EALDH1A1MAPTHPGD
SCHEMBL13869428 0.82 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869409 0.80 MAPT (0.39) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL13869345 0.80 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
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