SCHEMBL7189859

SCHEMBL7189859

C=CCc1c(C)c(C)c(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNNI3 P19429 1/20 0.33

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
SCHEMBL28795626 0.90 KDM4E (0.38) SMN1; SMN2TP53CYP3A4CYP1A2CYP2D6
SCHEMBL23527397 0.88 CYP3A4 (0.46) SMN1; SMN2TP53CYP3A4CYP1A2CYP2D6
SCHEMBL28362271 0.83 MEN1 (0.43) SMN1; SMN2TP53CYP3A4CYP1A2CYP2D6
SCHEMBL29853701 0.80 KDM4E (0.38) SMN1; SMN2TP53CYP3A4KDM4EALDH1A1
SCHEMBL2149073 0.80 KDM4E (0.38) SMN1; SMN2TP53CYP3A4KDM4EALDH1A1
SCHEMBL2361528 0.78 KDM4E (0.37) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL3800938 0.76 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7195959 0.74 CYP1A2 (0.40) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL7192168 0.74 CYP1A2 (0.36) TP53CYP3A4CYP1A2HIF1AKDM4E
SCHEMBL8743877 0.74 TP53 (0.40) SMN1; SMN2TP53CYP3A4CYP1A2CYP2D6

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-6534595-B2 Blend of thermosetting resin, decomposable resin and solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-18 US disclosed
US-20010038887-A1 Coating solution for forming porous organic film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed