SCHEMBL9408445

SCHEMBL9408445

CC(C)c1[c]c(C(C)C)cc(C(C)(C)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 1/20 0.44
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
NR3C2 P08235 3/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL6854492 0.76 ESR1 (0.61) ALDH1A1ESR1ESR2CYP3A4CNR1
SCHEMBL35881 0.73 ESR1 (0.70) ALDH1A1ESR1ESR2CYP3A4CNR1
SCHEMBL14910456 0.73 ESR1 (0.70) ALDH1A1ESR1ESR2CYP3A4CNR1
SCHEMBL28321442 0.73 ESR1 (0.44) ALDH1A1ESR1ESR2CYP3A4CNR1
SCHEMBL7208338 0.73 HDAC3 (0.41) CNR1CNR2SMN1; SMN2KDM4EKMT2A
SCHEMBL8845943 0.72 ESR1 (0.42) ALDH1A1ESR1ESR2CYP3A4CNR1
SCHEMBL841559 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL4314135 0.71 ESR1 (0.50) ALDH1A1ESR1ESR2CYP3A4CNR1
SCHEMBL6546771 0.71 ESR1 (0.56) ALDH1A1ESR1ESR2CYP3A4CNR1
SCHEMBL7535051 0.71 ESR1 (0.75) ALDH1A1ESR1ESR2CYP3A4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305452-A A kind of medicinal polyester bottles of low acetaldehyde and preparation method thereof 贵州千叶药品包装股份有限公司 2019-10-08 CN claimed
US-11332552-B2 Low pressure process for preparing low-density polyethylene CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2022-05-17 US disclosed
CN-109153750-B Low pressure process for preparing low density polyethylene 切弗朗菲利浦化学公司 2022-04-26 CN disclosed
EP-3898719-A1 ETHYLENE HOMOPOLYMERS WITH A REVERSE SHORT CHAIN BRANCH DISTRIBUTION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-10-27 EP disclosed
CN-113195556-A Ethylene homopolymers with reverse short chain branch distribution 切弗朗菲利浦化学公司 2021-07-30 CN disclosed
US-10961331-B2 Ethylene homopolymers with a reverse short chain branch distribution CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-03-30 US disclosed
WO-2020131442-A1 ETHYLENE HOMOPOLYMERS WITH A REVERSE SHORT CHAIN BRANCH DISTRIBUTION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2020-06-25 WO disclosed
US-20200199265-A1 Ethylene Homopolymers with a Reverse Short Chain Branch Distribution CHEVRON PHILLIPS CHEMICAL COMPANY LP 2020-06-25 US disclosed
CN-110305452-A A kind of medicinal polyester bottles of low acetaldehyde and preparation method thereof 贵州千叶药品包装股份有限公司 2019-10-08 CN disclosed
CN-109153750-A Prepare the low pressure method of low density polyethylene (LDPE) 切弗朗菲利浦化学公司 2019-01-04 CN disclosed
US-20170335022-A1 LOW PRESSURE PROCESS FOR PREPARING LOW-DENSITY POLYETHYLENE CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-11-23 US disclosed
EP-0597382-A1 Bis-(4-substituted-2,6-diisopropylphenyl)-carbodiimides, process for their preparation and their use and the intermediates for their preparation 4-substituted-2,6-diisopropyl phenylisocyanate BASF Aktiengesellschaft (DE) 1994-05-18 EP disclosed