SCHEMBL28046701

SCHEMBL28046701

CCC(O)(CC)C(=O)c1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.50
HDAC3 O15379 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
F10 P00742 1/20 0.42
PSIP1 O75475 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TPSAB1 Q15661 3/20 0.39
ABAT P80404 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL4457079 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2APLK1
SCHEMBL4454880 0.81 PLK1 (0.53) KDM4EALDH1A1KMT2APLK1
SCHEMBL10939967 0.80 CES2 (0.44)
SCHEMBL6692195 0.80 ALDH1A1 (0.44) ALDH1A1KMT2A
SCHEMBL27779138 0.80 LOXL2 (0.49) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL11658423 0.79 LOXL2 (0.55) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL4469892 0.79 CA2 (0.55) HDAC6SMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11656241 0.77 LOXL2 (0.53) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL4556750 0.76 CES1 (0.50) KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL25488955 0.75 HDAC3 (0.52) LOXL2HDAC3HDAC6NCOR2F10

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-105152898-B Phenylbutanone derivative and application of same as photoinitiator 杭华油墨股份有限公司 2017-04-26 CN disclosed
CN-105152898-A Phenylbutanone derivative and application of same as photoinitiator HANGZHOU TOKA INK CO LTD 2015-12-16 CN disclosed