SCHEMBL5000729

SCHEMBL5000729

O=C(Cl)C12CC3CC(C#Cc4ccccc4)(C1)CC(C(=O)Cl)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
FFAR1 O14842 1/20 0.35
P2RX7 Q99572 2/20 0.35
HPGD P15428 1/20 0.34
HSD11B1 P28845 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL2707883 0.89 GRM5 (0.38) GRM5FFAR1P2RX7HPGDHSD11B1
Hydrochloric Acid SCHEMBL5000731 0.87 GRM5 (0.37) GRM5FFAR1P2RX7HPGDHSD11B1
SCHEMBL4100078 0.80 APP (0.42) GRM5FFAR1HPGDHSD11B1ALDH1A1
SCHEMBL2746535 0.79 RBP4 (0.35) GRM5P2RX7HPGDHSD11B1ALDH1A1
SCHEMBL5004434 0.76 SMN1; SMN2 (0.36) HSD11B1ALDH1A1HTTMEN1KMT2A
SCHEMBL2190267 0.74 APP (0.37) GRM5
SCHEMBL4104795 0.74 APP (0.39) GRM5FFAR1HSD11B1HTTKMT2A
SCHEMBL2747858 0.73 APP (0.42) GRM5FFAR1P2RX7HSD11B1HTT
SCHEMBL2186702 0.72 APP (0.32) GRM5HTTHIF1AEPAS1
SCHEMBL2187622 0.72 GRM5 (0.35) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337982-B2 Comprising first repeating unit obtained by reaction of bisaminophenol compound and dicarboxylic acid, at least one of which has diamondoid structure and second repeating unit obtained by reaction of bisaminophenol compound having no diamondoid structure and dicarboxylic acid; heat resistance SUMITOMO BAKELITE CO., LTD. (JP) 2012-12-25 US disclosed
US-20080206548-A1 Benzoxazole Resin Precursor, Polybenzoxazole Resin, Resin Film And Semiconductor Device SUMITOMO BAKELITE CO., LTD (JP) 2008-08-28 US disclosed
EP-1832619-A1 BENZOXAZOLE RESIN PRECURSOR, POLYBENZOXAZOLE RESIN, RESIN FILM, AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company, Limited (JP) 2007-09-12 EP disclosed