SCHEMBL7761179

SCHEMBL7761179

CC1=Cc2c(-c3cc4ccccc4c4ccccc34)cccc2C1[Zr]C1c2cc(C)ccc2-c2ccc(C)cc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP1A2 P05177 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 SCHEMBL7762679 0.80 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL7592887 0.79 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
Hydrochloric Acid SCHEMBL3119117 0.78 MAPT (0.30) ALDH1A1
SCHEMBL4019314 0.77 ALDH1A1 (0.30) ALDH1A1HPGDTSHRMAPK1CASP1
Hydrochloric Acid SCHEMBL3122797 0.76
Hydrochloric Acid SCHEMBL3679765 0.75
SCHEMBL7208808 0.75 ALDH1A1 (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL7759404 0.75
Hydrochloric Acid SCHEMBL5604299 0.74 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
Hydrochloric Acid SCHEMBL3108850 0.74

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
EP-1092730-A1 PROCESS FOR PRODUCING OLEFIN POLYMER AND OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2001-04-18 EP disclosed