SCHEMBL28664754

SCHEMBL28664754

C=CCOS(=O)(=O)c1ccc(C)cc1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
TLR9 Q9NR96 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
STAT3 P40763 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.40
PKM P14618 2/20 0.40
G6PD P11413 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL169846 0.98 C5AR1 (0.44) C5AR1TLR9GAANPSR1STAT3
Ammonia Solution, Strong SCHEMBL12478377 0.96 C5AR1 (0.43) C5AR1TLR9GAANPSR1STAT3
Trimethylammonium SCHEMBL4908728 0.93 C5AR1 (0.44) C5AR1TLR9GAANPSR1STAT3
SCHEMBL14780436 0.92 C5AR1 (0.40) C5AR1TLR9GAANPSR1STAT3
Alcohol SCHEMBL11289368 0.92 NPSR1 (0.42) C5AR1TLR9GAANPSR1STAT3
Ether SCHEMBL12487654 0.90 C5AR1 (0.39) C5AR1TLR9GAANPSR1STAT3
SCHEMBL27597410 0.89 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9703417 0.86 C5AR1 (0.43) C5AR1GAANPSR1STAT3CA12
SCHEMBL11282649 0.86 CNR2 (0.47) C5AR1GAACA12CA9SMN1; SMN2
SCHEMBL9324283 0.84 TLR9 (0.41) C5AR1TLR9GAANPSR1STAT3

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-113736013-B Temperature-resistant salt-resistant polyacrylamide with adjustable molecular weight and preparation method thereof 中国石油天然气股份有限公司 2023-02-10 CN claimed
CN-113736013-A Temperature-resistant salt-resistant polyacrylamide with adjustable molecular weight and preparation method thereof 中国石油天然气股份有限公司 2021-12-03 CN claimed
CN-113736013-B Temperature-resistant salt-resistant polyacrylamide with adjustable molecular weight and preparation method thereof 中国石油天然气股份有限公司 2023-02-10 CN disclosed
CN-112337321-B Carbon molecular sieve membrane structure remodeling method 中国石油天然气股份有限公司 2022-11-04 CN disclosed
CN-113736013-A Temperature-resistant salt-resistant polyacrylamide with adjustable molecular weight and preparation method thereof 中国石油天然气股份有限公司 2021-12-03 CN disclosed