SCHEMBL4433941

SCHEMBL4433941

CC(C)(C)c1ccc2c(c1)C([Zr](C1=CC=CC1)=C(c1ccccc1)c1cccc(C(F)(F)F)c1)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.34
CES2 O00748 1/20 0.34
KCNK3 O14649 1/20 0.33
TP53 P04637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
MEN1 O00255 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
VNN1 O95497 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAOB P27338 1/20 0.31
MAPK14 Q16539 1/20 0.31
SRD5A2 P31213 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
SCHEMBL6226515 0.97 CES2 (0.36) ACHECES2TP53TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL812496 0.96 CES2 (0.35) ACHECES2TP53TAS1R3TAS1R1
SCHEMBL4427085 0.93 ACHE (0.34) ACHECES2KCNK3TP53TAS1R3
SCHEMBL2803241 0.91 ALDH1A1 (0.31) LMNAKMT2AMEN1ALDH1A1
SCHEMBL18142138 0.90 CES2 (0.36) ACHECES2TP53TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL851746 0.90 NPC1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL812467 0.90 NPC1 (0.31) ALDH1A1
SCHEMBL4429943 0.89 CES2 (0.34) CES2KCNK3TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL812509 0.89 CES2 (0.36) ACHECES2TP53TAS1R3TAS1R1
SCHEMBL6047534 0.89 TRPV1 (0.32) CES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492471-B2 Polypropylene resin composition and monolayer and multilayer film MITSUI CHEMICALS, INC. (JP) 2022-11-08 US disclosed
US-20190300688-A1 POLYPROPYLENE RESIN COMPOSITION AND MONOLAYER AND MULTILAYER FILM MITSUI CHEMICALS, INC. (JP) 2019-10-03 US disclosed
EP-2080784-B1 PROPYLENE RESIN COMPOSITION, METHOD FOR PRODUCING PROPYLENE RESIN COMPOSITION, PROPYLENE POLYMER COMPOSITION, MOLDED BODY MADE OF THE PROPYLENE RESIN COMPOSITION, AND ELECTRIC WIRE MITSUI CHEMICALS INC (JP) 2013-03-06 EP disclosed
EP-2080784-A1 PROPYLENE RESIN COMPOSITION, METHOD FOR PRODUCING PROPYLENE RESIN COMPOSITION, PROPYLENE POLYMER COMPOSITION, MOLDED BODY MADE OF THE PROPYLENE RESIN COMPOSITION, AND ELECTRIC WIRE Mitsui Chemicals, Inc. (JP) 2009-07-22 EP disclosed