SCHEMBL4241767

SCHEMBL4241767

NCC1OC1C(CN)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.59
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL635367 0.76 EPHX1 (1.00) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL1088601 0.73 EPHX1 (0.94) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL31262900 0.67 EPHX1 (0.79) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL2067551 0.63 EPHX1 (0.64) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL550246 0.63
SCHEMBL4379254 0.62 EPHX1 (0.62) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL9717438 0.62 EPHX1 (0.62) EPHX1TP53LMNAKDM4EGMNN
Hydrochloric Acid SCHEMBL9011719 0.61 EPHX1 (0.68) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL9821330 0.61 EPHX1 (0.60) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL8070691 0.60 EPHX1 (0.59) EPHX1TP53LMNAKDM4EGMNN

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-20090118151-A1 Metal-Processing Oil Composition and Metal-Processing Method KYODO YUSHI CO., LTD. (JP) 2009-05-07 US disclosed
EP-1892282-A1 METALWORKING FLUID COMPOSITION AND METALWORKING PROCESS KYODO YUSHI CO., LTD. (JP) 2008-02-27 EP disclosed