SCHEMBL28656334

SCHEMBL28656334

Cc1cc(C)c(S(=O)(=O)O)c(C)c1.[CaH2]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
RAPGEF4 Q8WZA2 6/20 0.48
GAA P10253 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
FABP4 P15090 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYTH2 Q99418 1/20 0.42
MAPT P10636 3/20 0.41

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
SCHEMBL7930818 0.97 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL10846507 0.97 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL23788 0.97 CA1 (0.58) CA1CA2MMP1MMP2MMP9
Ammonia Solution, Strong SCHEMBL5999943 0.97 CA1 (0.58) CA1CA2MMP1MMP2MMP9
Water SCHEMBL458685 0.95 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL9243736 0.95 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL2549047 0.95 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL9165332 0.95 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL28505545 0.95 CA1 (0.56) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL943801 0.95 CA1 (0.56) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597099-A Curable composition for dental use 可乐丽则武齿科株式会社 2024-02-23 CN disclosed
CN-113677293-B Curable composition for dental restoration 可乐丽则武齿科株式会社 2023-10-10 CN disclosed
CN-116367806-A Curable composition for dentistry having excellent color tone adaptability 可乐丽则武齿科株式会社 2023-06-30 CN disclosed
CN-113677293-A Curable composition for dental repair 可乐丽则武齿科株式会社 2021-11-19 CN disclosed
CN-113164328-A Bifunctional and multifunctional coinitiators in dental compositions 登士柏德特里有限公司 2021-07-23 CN disclosed
CN-111989079-A Dental composition 登特斯普伊德特雷有限公司 2020-11-24 CN disclosed