SCHEMBL4249927

SCHEMBL4249927

CCC1=Cc2c(-c3ccccc3)cccc2C1[Ti](Cl)Cl

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ADRB2 P07550 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CYP2A6 P11509 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
SCHEMBL4060093 0.81 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4CYP2A6
SCHEMBL5859122 0.79 PDCD1 (0.34) PDCD1CD274ADRB2CHRNB2CHRNA4
SCHEMBL7644720 0.78 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
SCHEMBL4620494 0.78 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
SCHEMBL1582945 0.78 PDCD1 (0.37) PDCD1CD274ADRB2CHRNB2CHRNA4
SCHEMBL6649301 0.78 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
SCHEMBL5604829 0.77 BRD4 (0.31) PDCD1CD274ADRB2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5604826 0.77 BRD4 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
Fluoride Ion SCHEMBL7643351 0.77 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL27477688 0.77 PDCD1 (0.33) PDCD1CD274ADRB2CHRNB2CHRNA4

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-20090012238-A1 RESIN COMPOSITION, TRANSPARENT FILM OR SHEET HAVING ELASTICITY RECOVERING PROPERTY, AND WRAP FILM PRIME POLYMER CO., LTD (JP) 2009-01-08 US disclosed