SCHEMBL28110313

SCHEMBL28110313

C=COC(C)=O.O=C1C=C(c2cccc3ccccc23)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
ADK P55263 1/20 0.40
PRKCB P05771 2/20 0.39
PRKCA P17252 2/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL2544260 0.82 PTPN1 (0.53) GSK3BPRKCBPRKCAPRKD3PRKCG
SCHEMBL10714445 0.76 PTPN1 (0.50) GSK3BPRKCBPRKCAPRKD3PRKCG
SCHEMBL1050913 0.74 GSK3B (0.41) GSK3BPRKCBPRKCAPRKD3PRKCG
Naphthalene SCHEMBL27569184 0.71 ALDH1A1 (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
Naphthoic Acid SCHEMBL27524317 0.70 NR4A1 (0.64) PTPN1KDM4EGAAMEN1KMT2A
SCHEMBL9333971 0.70 KDM4E (0.42) KDM4EGAAMAPTCYP2C9MEN1
Naphthalene SCHEMBL28326317 0.69 ALDH1A1 (0.40) KDM4EMAPTCYP2C19MEN1KMT2A
SCHEMBL929808 0.69 ALDH1A1 (0.41) GSK3BPRKCBPRKCAPRKD3PRKCG
SCHEMBL929420 0.68 ALDH1A1 (0.40) GSK3BPRKCBPRKCAPRKD3PRKCG
SCHEMBL11323197 0.68 PRMT1 (0.44) KDM4EMAPTMEN1KMT2AALDH1A1

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
CN-106146851-A Photocurable composition and comprise its solidfied material 信越化学工业株式会社 2016-11-23 CN disclosed