SCHEMBL14735582

SCHEMBL14735582

Cc1cc2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C)cc1C2[Zr](C1=CC=CC1)=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
RBP4 P02753 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
Hydrochloric Acid SCHEMBL811910 0.99 CES2 (0.33) CES2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4434256 0.97 GAA (0.32) CES2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL14735793 0.94 CES2 (0.36) CES2TAS1R3TAS1R1TAS1R2MEN1
Hydrochloric Acid SCHEMBL811766 0.93 CES2 (0.36) CES2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4429943 0.91 CES2 (0.34) CES2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL14735657 0.90
SCHEMBL4435533 0.90
SCHEMBL4952125 0.90 CNR2 (0.32) CNR2
SCHEMBL18695284 0.89
Hydrochloric Acid SCHEMBL812539 0.88

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 6 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-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