SCHEMBL28297717

SCHEMBL28297717

CC(C)(C)c1cccc(C(C)(C)C)c1O.Cc1cccc(C(C)(C)C)c1O

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.95
GABRB2 P47870 1/20 0.95
CA2 P00918 3/20 0.77
ALDH1A1 P00352 4/20 0.56
TRPA1 O75762 2/20 0.50
ALOX12 P18054 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
SCN2A Q99250 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL29407049 0.98 GABRA1 (1.00) GABRA1GABRB2CA2ALDH1A1TRPA1
SCHEMBL56224 0.98 GABRA1 (1.00) GABRA1GABRB2CA2ALDH1A1TRPA1
SCHEMBL28015936 0.95 GABRA1 (0.95) GABRA1GABRB2CA2ALDH1A1TRPA1
SCHEMBL28255130 0.95 GABRA1 (0.95) GABRA1GABRB2CA2ALDH1A1TRPA1
SCHEMBL28119496 0.95 GABRA1 (0.95) GABRA1GABRB2CA2ALDH1A1TRPA1
Hydrogen Sulfide SCHEMBL28070044 0.95 GABRA1 (0.95) GABRA1GABRB2CA2ALDH1A1TRPA1
Hydrogen Sulfide SCHEMBL1353453 0.95 GABRA1 (0.95) GABRA1GABRB2CA2ALDH1A1TRPA1
Hydrochloric Acid SCHEMBL7034786 0.93 GABRA1 (0.91) GABRA1GABRB2CA2ALDH1A1TRPA1
SCHEMBL28525558 0.91 GABRA1 (0.88) GABRA1GABRB2CA2ALDH1A1TRPA1
Sulfur Dioxide SCHEMBL28519364 0.90 GABRA1 (0.84) GABRA1GABRB2CA2ALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279988-A Bronsted acid catalyst polymer composition 陶氏环球技术有限责任公司 2023-12-22 CN disclosed
CN-116133869-A Laser printable polymer composition 陶氏环球技术有限责任公司 2023-05-16 CN disclosed
CN-115803370-A Method of melt blending flame retardant compositions and polymer compositions 陶氏环球技术有限责任公司 2023-03-14 CN disclosed
CN-115803388-A Flame retardant polymer composition 陶氏环球技术有限责任公司 2023-03-14 CN disclosed
CN-115698170-A Heat and oil resistant composition 陶氏环球技术有限责任公司 2023-02-03 CN disclosed
CN-115552551-A Flame retardant polymer composition 陶氏环球技术有限责任公司 2022-12-30 CN disclosed
CN-115380067-A Flame retardant polymer composition 陶氏环球技术有限责任公司 2022-11-22 CN disclosed
CN-115315474-A Flame retardant polymer composition 陶氏环球技术有限责任公司 2022-11-08 CN disclosed
CN-109791820-A Flame retardant polymer composition 陶氏环球技术有限责任公司 2019-05-21 CN disclosed