SCHEMBL28565657

SCHEMBL28565657

CCc1ccc(C(=O)OC)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
SLC6A3 Q01959 4/20 0.49
SLC6A4 P31645 3/20 0.49
LTB4R2 Q9NPC1 1/20 0.47
SLC6A2 P23975 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
EGFR P00533 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL6625089 0.91 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL28560553 0.90 LTB4R2 (0.50) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL6629659 0.88 CYP4F2 (0.49) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL29775283 0.88 HDAC7 (0.49) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL29775255 0.88 LOXL2 (0.51) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL24579101 0.88 LOXL2 (0.51) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL24578098 0.88 HDAC7 (0.49) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL6772188 0.88 SLC6A3 (0.50) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL20178611 0.87 LTB4R2 (0.51) GABRA1GABRG2GABRB3GABRA3SLC6A3
SCHEMBL8662718 0.86 CA1 (0.50) SLC6A3SLC6A4LTB4R2SLC6A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553704-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553704-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN disclosed