SCHEMBL22201774

SCHEMBL22201774

c1ccc(COCCC2CC3CCCC(C3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
EPHX2 P34913 2/20 0.43
AGTR2 P50052 1/20 0.43
TSHR P16473 1/20 0.42
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GBA1 P04062 1/20 0.38
UGCG Q16739 1/20 0.38
GBA2 Q9HCG7 1/20 0.38

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
SCHEMBL6647671 0.85 TSHR (0.50) LTA4HAGTR2TSHRPDE4DLMNA
SCHEMBL18950906 0.82 TSHR (0.50) LTA4HAGTR2TSHRPDE4DLMNA
SCHEMBL12982403 0.81 TSHR (0.54) LTA4HAGTR2TSHRPDE4DLMNA
SCHEMBL599769 0.79 PDE4D (0.49) LTA4HEPHX2AGTR2TSHRPDE4D
SCHEMBL600068 0.79 PDE4D (0.49) LTA4HEPHX2AGTR2TSHRPDE4D
SCHEMBL599768 0.79 PDE4D (0.49) LTA4HEPHX2AGTR2TSHRPDE4D
Formic Acid SCHEMBL28169940 0.77 AGTR2 (0.44) LTA4HEPHX2AGTR2TSHRPDE4D
SCHEMBL30346465 0.77 TSHR (0.48) LTA4HEPHX2TSHRLMNAHTT
SCHEMBL13096759 0.77 MEN1 (0.49) EPHX2AGTR2TSHRLMNAHTT
SCHEMBL17891866 0.75 AGTR2 (0.54) EPHX2AGTR2TSHRPDE4DHTT

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-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed