SCHEMBL27853809

SCHEMBL27853809

O=C(OCC1CC=CCC1)C1C=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ PKM P14618 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ POLB P06746 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
SCHEMBL11338767 0.78 KDM4E (0.40) MAPK1KDM4ETDP1SMN1; SMN2CDK1
SCHEMBL17616827 0.78 CYP3A4 (0.49) MAPK1KDM4ETDP1SMN1; SMN2CDK1
SCHEMBL10549828 0.78 USP2 (0.33) TDP1ALDH1A1
SCHEMBL17616840 0.78 MAPK1 (0.39) MAPK1KDM4ETDP1SMN1; SMN2CDK1
SCHEMBL17616828 0.78 MAPK1 (0.39) MAPK1KDM4ETDP1SMN1; SMN2CDK1
SCHEMBL472150 0.77 KDM4E (0.42) MAPK1KDM4ETDP1SMN1; SMN2CDK1
SCHEMBL29753313 0.77 MAPK1 (0.37) MAPK1KDM4ETDP1SMN1; SMN2CDK1
SCHEMBL472104 0.76 MIF (0.40) MAPK1KDM4ETDP1SMN1; SMN2CDK1
SCHEMBL4583813 0.76 MAPK1 (0.40) MAPK1KDM4ETDP1SMN1; SMN2CDK1
SCHEMBL27329585 0.76 TP53 (0.54) ALDH1A1POLB

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
CN-102361861-B Method for producing epoxy compound SHOWA DENKO KABUSHIKI KAISHA (JP) 2015-09-02 — — CN disclosed
CN-102361861-A Method for producing epoxy compound SHOWA DENKO KK 2012-02-22 — — CN disclosed
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