SCHEMBL9485019

SCHEMBL9485019

CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC(C)CCC1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
AKT1 P31749 2/20 0.41
PLCG2 P16885 1/20 0.41
PIK3R1 P27986 1/20 0.41
AKT2 P31751 1/20 0.41
PIK3CA P42336 1/20 0.41
AKT3 Q9Y243 1/20 0.41
GAB1 Q13480 1/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
MAPK14 Q16539 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX1 P07099 2/20 0.38
OPRM1 P35372 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9485530 1.00 ALDH1A1 (0.44) ALDH1A1LMNAAKT1PLCG2PIK3R1
SCHEMBL9484811 1.00 ALDH1A1 (0.44) ALDH1A1LMNAAKT1PLCG2PIK3R1
SCHEMBL9483991 1.00 ALDH1A1 (0.44) ALDH1A1LMNAAKT1PLCG2PIK3R1
SCHEMBL7113763 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7112455 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8147105 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8148495 0.81 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8145483 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9485603 0.81 CYP3A4 (0.44) ALDH1A1LMNAAKT1PLCG2PIK3R1
SCHEMBL9484139 0.81 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E

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
US-5258167-A Extractant for rare earth metal and method for extracting the same LION CORPORATION (JP) 1993-11-02 US disclosed