SCHEMBL8962407

SCHEMBL8962407

CS(=O)(=O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
BCAT2 O15382 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL347237 0.84 ALOX15 (0.48) ALOX15CA1CA2MMP1MMP2
SCHEMBL29435078 0.84 ALOX15 (0.48) ALOX15CA1CA2MMP1MMP2
SCHEMBL60211 0.82 ALOX15 (0.47) ALOX15CA1CA2MMP1MMP2
SCHEMBL30842657 0.82 ALOX15 (0.47) ALOX15CA1CA2MMP1MMP2
SCHEMBL29838630 0.82 BCAT2 (0.62) ALOX15BCAT2CA1CA2MMP1
SCHEMBL34748 0.82 BCAT2 (0.62) ALOX15BCAT2CA1CA2MMP1
SCHEMBL1829605 0.81 TSHR (0.49) ALOX15CA1CA2MMP1MMP2
Ammonia Solution, Strong SCHEMBL5169579 0.81 ALOX15 (0.46) ALOX15CA1CA2MMP1MMP2
SCHEMBL7086038 0.81 ALOX15 (0.46) ALOX15CA1CA2MMP1MMP2
SCHEMBL5964352 0.81 ALOX15 (0.46) ALOX15CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326827-A1 SOLVENT-BASED INKJET INKS Kao Corporation (JP) 2024-02-28 EP disclosed
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
WO-1995012632-A2 LOW DENSITY MATERIALS HAVING GOOD COMPRESSION STRENGTH AND ARTICLES FORMED THEREFROM ALLIEDSIGNAL INC. (US) 1995-05-11 WO disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed