SCHEMBL4059907

SCHEMBL4059907

[Ti]C1C=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 1/20 0.33
BCAT2 O15382 1/20 0.32
BRD4 O60885 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HNF4A P41235 1/20 0.31
DPP4 P27487 1/20 0.31
BACE1 P56817 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
Hydrochloric Acid SCHEMBL5183327 0.98 MGLL (0.37) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10
SCHEMBL5184003 0.91 MGLL (0.33) MGLLCHRNB2CHRNA4
SCHEMBL27448311 0.78 CHRNB2 (0.36) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5184845 0.78 CHRNB2 (0.36) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10
SCHEMBL28325453 0.78 CHRNB2 (0.36) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10
SCHEMBL6930673 0.78 CHRNB2 (0.36) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10
SCHEMBL5860378 0.78 CHRNB2 (0.36) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10
Fluoride SCHEMBL5183962 0.78 CHRNB2 (0.36) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10
SCHEMBL7203771 0.77 CHRNB2 (0.36) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10
SCHEMBL1027511 0.76 ALDH1A1 (0.36) MGLLCHRNB2CHRNA4ALDH1A1HSD17B10

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
WO-2009116656-A1 PREPOLYMERIZATION CATALYST COMPONENT AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 WO disclosed