SCHEMBL9190862

SCHEMBL9190862

CC(C)(C)Oc1ccc(S(=O)(=O)CCCOc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.44
MMP1 P03956 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN5 P54829 1/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
PTPN11 Q06124 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9184079 0.91 PPARD (0.44) MMP1ALDH1A1HSD17B10CA2
SCHEMBL9190869 0.89 CYP4F2 (0.42) MCL1ALDH1A1HPGDHSD17B10PTPN11
SCHEMBL9185774 0.87 ALDH1A1 (0.48) MCL1MMP1KDM4EALDH1A1HPGD
SCHEMBL9186772 0.87 HTT (0.52) MCL1MMP1KDM4EALDH1A1HPGD
SCHEMBL9187998 0.86 MCL1 (0.48) MCL1MMP1KDM4EALDH1A1HPGD
SCHEMBL9192772 0.85 MCL1 (0.45) MCL1MMP1KDM4EALDH1A1HPGD
SCHEMBL9186125 0.85 ALDH1A1 (0.53) MCL1MMP1KDM4EALDH1A1HPGD
SCHEMBL9187575 0.85 CA1 (0.47) MCL1MMP1KDM4EALDH1A1HPGD
SCHEMBL9187180 0.85 CA2 (0.46) MCL1MMP1KDM4EALDH1A1HPGD
SCHEMBL9191383 0.85 MCL1 (0.46) MCL1MMP1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403833-B1 Recording material NEW OJI PAPER CO LTD (JP) 1995-09-27 EP disclosed
US-5094999-A Salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-10 US disclosed
EP-0403833-A2 Recording material NEW OJI PAPER CO., LTD. (JP) 1990-12-27 EP disclosed