SCHEMBL20440993

SCHEMBL20440993

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
CASP3 P42574 2/20 0.34
RAB9A P51151 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNF P01375 1/20 0.33
KLF5 Q13887 1/20 0.33
NOD1 Q9Y239 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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 SCHEMBL31393354 0.99 L3MBTL1 (0.33) ALDH1A1L3MBTL1NPC1CASP3RAB9A
SCHEMBL20721372 0.90 KCNK9 (0.35) ALDH1A1L3MBTL1NPC1CASP3RAB9A
SCHEMBL20721333 0.89 NPC1 (0.35) NPC1RAB9AMAPTCA12CA1
SCHEMBL20721377 0.88 POLB (0.37) NPC1RAB9ACA12CA1CA9
SCHEMBL21406961 0.88 CA9 (0.31) CA12CA1CA9
SCHEMBL21407028 0.88 CA9 (0.31) CA12CA1CA9
SCHEMBL21406918 0.88 TRPV1 (0.35) CA12CA1CA9
SCHEMBL21406930 0.88 CA9 (0.31) CA12CA1CA9
SCHEMBL20721369 0.87 ENPP1 (0.32) ALDH1A1L3MBTL1NPC1CASP3RAB9A
SCHEMBL21406938 0.87 MEN1 (0.41) MAPTACHE

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
EP-1661921-B1 Synthetic lubricating oil and lubricating oil composition thereof MITSUI CHEMICALS INC (JP) 2019-07-17 EP disclosed
US-10040883-B2 Multimodal polyolefin resin and molded product prepared therefrom DAELIM INDUSTRIAL CO., LTD. (KR) 2018-08-07 US disclosed