SCHEMBL28512595

SCHEMBL28512595

CC1CCCC1C(O)CN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
KDM4E B2RXH2 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
EPHX1 P07099 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL15345260 0.82 CA1 (0.39) CA1CA2CA4IDO1TDO2
SCHEMBL19217444 0.76 CA1 (0.32) CA1CA2CA4EPHX1
SCHEMBL13494939 0.74 TP53 (0.45) TP53KDM4EGMNNLMNAMAPT
SCHEMBL24465026 0.74 CA1 (0.32) CA1CA2CA4
SCHEMBL13625288 0.73 TP53 (0.54) TP53KDM4EGMNNLMNAMAPT
SCHEMBL14261871 0.73 ALDH1A1 (0.42) TP53KDM4EGMNNLMNAMAPT
SCHEMBL10005748 0.72
SCHEMBL23761130 0.71 CA1 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL20854875 0.70 CA1 (0.36) CA1CA2CA4EPHX1
SCHEMBL18220895 0.70 CA1 (0.36) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884505-B Water-soluble quenching oil composition 出光兴产株式会社 2021-03-19 CN claimed
CN-108884504-B Water-soluble quenching oil composition 出光兴产株式会社 2021-01-26 CN claimed
CN-108884505-B Water-soluble quenching oil composition 出光兴产株式会社 2021-03-19 CN disclosed
CN-108884504-B Water-soluble quenching oil composition 出光兴产株式会社 2021-01-26 CN disclosed
CN-108884504-A water-soluble quenching oil composition 出光兴产株式会社 2018-11-23 CN disclosed