SCHEMBL28072148

SCHEMBL28072148

CCCCCCc1cc(C)cc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.59
CYP3A4 P08684 2/20 0.56
GPR84 Q9NQS5 2/20 0.48
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SHBG P04278 1/20 0.48
TP53 P04637 1/20 0.48
HSPD1 P10809 1/20 0.48
ADRB3 P13945 1/20 0.48
HTR2C P28335 1/20 0.48
HSPE1 P61604 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL28197360 1.00 PTGS2 (0.59) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL8732532 1.00 PTGS2 (0.59) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL10413818 1.00 PTGS2 (0.59) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL10413816 1.00 PTGS2 (0.59) PTGS2CYP3A4GPR84ESR1ADRA2A
Water SCHEMBL11873670 0.98 PTGS2 (0.57) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL19382277 0.98 PTGS2 (0.58) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL10636170 0.95 PTGS2 (0.59) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL11793154 0.90 HPGD (0.58) PTGS2CYP3A4GPR84ALDH1A1TP53
SCHEMBL8100036 0.90 PTGS2 (0.44) PTGS2CYP3A4ALDH1A1NPC1HPGD
SCHEMBL8086884 0.90 PTGS2 (0.44) PTGS2CYP3A4ALDH1A1NPC1HPGD

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
CN-107001737-A The method that modified ethylenic polymer is prepared using hydrocarbon initiator 陶氏环球技术有限责任公司 2017-08-01 CN claimed
CN-106459258-A Process for making ethylene-based polymers using hydrocarbon initiators 陶氏环球技术有限责任公司 2017-02-22 CN claimed
CN-109476946-A Optics fadout color-changing composition and its method made and used 西甘产业股份有限公司 2019-03-15 CN disclosed
CN-106459258-A Process for making ethylene-based polymers using hydrocarbon initiators 陶氏环球技术有限责任公司 2017-02-22 CN disclosed
CN-105793296-A Process for visbreaking propylene-based polymers with C-C initiators 陶氏环球技术有限责任公司 2016-07-20 CN disclosed