SCHEMBL28051428

SCHEMBL28051428

C1=CC2CC1CC2c1ccccc1.CCC(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
GPR88 Q9GZN0 6/20 0.38
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL109753 0.79 MAOB (0.46) KDM1AKDM4EHTR2C
SCHEMBL5075113 0.77 KDM4E (0.34) KDM4EALDH1A1
Toluene SCHEMBL27694220 0.73 APAF1 (0.36) ALDH1A1TDP1
SCHEMBL22471993 0.73 MAOB (0.41) KDM1AKDM4EHTR2C
Chlorobenzene SCHEMBL27694221 0.72 CCR1 (0.36) GPR88NPSR1KDM4EALDH1A1
Biphenyl SCHEMBL9327587 0.72 PTGS2 (0.53) SMN1; SMN2
SCHEMBL200919 0.71 KDM1A (0.55) KDM1AKDM4EHTR2C
SCHEMBL1476805 0.71 FOLH1 (0.33) ALDH1A1
SCHEMBL4352095 0.70 EPHX2 (0.42) KDM1ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6234699 0.70 KDM1A (0.38) KDM1AKDM4EALDH1A1TDP1HTR2C

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-105339407-A Cyanate resin blends and radomes including them SAINT GOBAIN PERFORMANCE PLAST 2016-02-17 CN disclosed