SCHEMBL18142138

SCHEMBL18142138

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2[Zr](C1=CC=CC1)=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
ACHE P22303 3/20 0.36
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL812509 0.99 CES2 (0.36) CES2ACHETAS1R3TAS1R1TAS1R2
SCHEMBL4427085 0.97 ACHE (0.34) CES2ACHETAS1R3TAS1R1TAS1R2
SCHEMBL6226515 0.93 CES2 (0.36) CES2ACHETAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL812496 0.92 CES2 (0.35) CES2ACHETAS1R3TAS1R1TAS1R2
SCHEMBL4427778 0.92 ACHE (0.30) CES2ACHE
SCHEMBL4497636 0.90 TRPV1 (0.32) CES2
SCHEMBL4433941 0.90 ACHE (0.34) CES2ACHETAS1R3TAS1R1TAS1R2
SCHEMBL14735793 0.90 CES2 (0.36) CES2ACHETAS1R3TAS1R1TAS1R2
SCHEMBL3833191 0.90 ACHE (0.33) ACHE
Hydrochloric Acid SCHEMBL811871 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714306-B2 Olefin resin and method for producing same MITSUI CHEMICALS, INC. (JP) 2017-07-25 US disclosed
US-20170101492-A1 OLEFIN RESIN AND METHOD FOR PRODUCING SAME MITSUI CHEMICALS, INC. (JP) 2017-04-13 US disclosed
EP-2275451-B1 Method for producing propylene-based copolymer MITSUI CHEMICALS INC (JP) 2016-10-19 EP disclosed