SCHEMBL14735586

SCHEMBL14735586

CC(C)(C)c1cc2c(cc1-c1ccccc1)C([Zr](C1=CC=CC1)=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)c1cc(-c3ccccc3)c(C(C)(C)C)cc1-2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.32
RBP4 P02753 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CNR2 P34972 1/20 0.30
LMNA P02545 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
SCHEMBL4434269 0.99 ALDH1A1 (0.35) ALDH1A1CES2RBP4TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL812839 0.99 ALDH1A1 (0.35) ALDH1A1CES2RBP4TAS1R3TAS1R1
SCHEMBL3837453 0.93 TACR1 (0.32)
SCHEMBL4429943 0.93 CES2 (0.34) ALDH1A1CES2RBP4TAS1R3TAS1R1
SCHEMBL14735793 0.92 CES2 (0.36) CES2RBP4TAS1R3TAS1R1TAS1R2
SCHEMBL14735782 0.91
SCHEMBL18695283 0.91 BACE1 (0.32)
Hydrochloric Acid SCHEMBL811766 0.91 CES2 (0.36) CES2RBP4TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL811179 0.90 BACE1 (0.31)
SCHEMBL4953483 0.90

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 5 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-9670346-B2 Propylene-based resin composition MITSUI CHEMICALS, INC. (JP) 2017-06-06 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
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