SCHEMBL22607487

SCHEMBL22607487

CC(C)(C)c1ccc2c(c1)C([Zr](Cl)(Cl)(=C(c1ccccc1)c1ccccc1)C1C=CC=C1)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
CASP3 P42574 2/20 0.33
RAB9A P51151 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL20604051 0.90 KCNK9 (0.36) KCNK9ALDH1A1NPC1CASP3RAB9A
SCHEMBL20478159 0.89 NPC1 (0.33) NPC1RAB9ACA12CA1CA9
SCHEMBL20994411 0.89 CA12 (0.30) CA12CA1CA9
SCHEMBL27167622 0.89 SMN1; SMN2 (0.36) NPC1RAB9AHTTCA12CA1
SCHEMBL20994381 0.88 TRPV1 (0.36) CA12CA1CA9
SCHEMBL20994372 0.88 CA12 (0.30) CA12CA1CA9
SCHEMBL20994505 0.88 CA12 (0.30) CA12CA1CA9
SCHEMBL20994520 0.88 HDAC8 (0.33)
SCHEMBL20603896 0.88 ENPP1 (0.33) NPC1RAB9A
SCHEMBL20994392 0.88 MEN1 (0.39) MAPT

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-3034545-B1 A PROCESS FOR THE PREPARATION OF A GRAFT COPOLYMER COMPRISING A POLYOLEFIN MAIN CHAIN AND ONE OR A MULTIPLE POLYMER SIDE CHAINS AND THE PRODUCTS OBTAINED THEREFROM SABIC GLOBAL TECHNOLOGIES BV (NL) 2020-11-04 EP disclosed