SCHEMBL4873019

SCHEMBL4873019

CCCCc1cc2ccccc2c(S(=O)(=O)O)c1CCCC.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
TLR8 Q9NR97 2/20 0.40
NCEH1 Q6PIU2 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC2A1 P11166 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL21589329 1.00 CYP2D6 (0.42) CYP2D6TLR8NCEH1GPR84ESR1
SCHEMBL29401801 0.99 CYP2D6 (0.43) CYP2D6TLR8NCEH1GPR84ESR1
SCHEMBL18322 0.99 CYP2D6 (0.43) CYP2D6TLR8NCEH1GPR84ESR1
Naphthalene SCHEMBL3679996 0.97 CYP2D6 (0.42) CYP2D6TLR8NCEH1GPR84ESR1
Ammonia Solution, Strong SCHEMBL324743 0.97 CYP2D6 (0.42) CYP2D6TLR8NCEH1GPR84ESR1
SCHEMBL28001500 0.97 CYP2D6 (0.42) CYP2D6TLR8NCEH1GPR84ESR1
SCHEMBL9424986 0.97 CYP2D6 (0.42) CYP2D6TLR8NCEH1GPR84ESR1
SCHEMBL289480 0.97 CYP2D6 (0.42) CYP2D6TLR8NCEH1GPR84ESR1
SCHEMBL11305788 0.97 CYP2D6 (0.42) CYP2D6TLR8NCEH1GPR84ESR1
SCHEMBL28002989 0.97 CYP2D6 (0.42) CYP2D6TLR8NCEH1GPR84ESR1

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 191 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108112631-A A kind of herbicide with insecticidal action and preparation method thereof 山东润博生物科技有限公司 2018-06-05 CN claimed
CN-107964141-A A kind of tear-proof sole and preparation method thereof 温州市小林鞋材有限公司 2018-04-27 CN claimed
CN-106831194-A A kind of bergamot pear drip irrigation special fertilizer and its application 新疆心连心能源化工有限公司 2017-06-13 CN claimed
CN-106753049-A A kind of environment-friendly rubber adhesive and preparation method thereof 庄爱芹 2017-05-31 CN claimed
CN-106633751-A Water-resistant and abrasion-resistant wood-plastic composite material and method for preparing same 苏州佰思科节能环保科技有限公司 2017-05-10 CN claimed
CN-106543749-A A kind of capacitor encapsulating wax of excellent combination property 安徽飞达电气科技有限公司 2017-03-29 CN claimed
CN-104478342-B Wet base surface treating agent 咸阳东方雨虹建筑材料有限公司 2017-02-22 CN claimed
US-9562185-B2 High-temperature resistant nano composite mining additive for mining heavy oil and super heavy oil and preparation process thereof GUNGHO CHARGE (TIANJIN) REFINED PETROLEUM TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2017-02-07 US claimed
EP-3419418-B1 SOLVENT-FREE FORMULATIONS COMPRISING CRYSTALLINE MEFENPYR-DIETHYL BAYER CROPSCIENCE AG (DE) 2025-01-08 EP disclosed
EP-4172153-A1 SUBSTITUTED HETEROARYLOXYPYRIDINES, THE SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-05-03 EP disclosed
EP-4157851-A1 SUBSTITUTED PYRROLINE-2-ONES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2023-04-05 EP disclosed
EP-4143181-A1 1-PYRAZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH Bayer Aktiengesellschaft (DE) 2023-03-08 EP disclosed
EP-4132916-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2023-02-15 EP disclosed
EP-4132917-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES Bayer Aktiengesellschaft (DE) 2023-02-15 EP disclosed
US-4076836-A MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1978-02-28 US disclosed
US-4075349-A ACYLATED THIOPROPIONYL ANILINES CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-4035488-A Insecticidal and acaricidal substituted phenyl thiophosphoric acid esters CIBA-GEIGY CORPORATION (US) 1977-07-12 US disclosed
US-4025648-A MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1977-05-24 US disclosed
US-3948940-A Pesticidal phthalimido phosphorous ester compounds CIBA-GEIGY CORPORATION (US) 1976-04-06 US disclosed
US-3939274-A Phenoxyphenylalkanoic acid ester insecticides CIBA-GEIGY CORPORATION (US) 1976-02-17 US disclosed