SCHEMBL9191985

SCHEMBL9191985

COc1ccc(S(=O)(=O)CCCCOc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP13 P45452 3/20 0.49
MMP8 P22894 1/20 0.49
MCL1 Q07820 1/20 0.46
MMP1 P03956 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 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
SCHEMBL9186772 0.96 HTT (0.52) HTTNPSR1MMP13MMP8MCL1
SCHEMBL9189332 0.93 HTT (0.53) HTTNPSR1MMP13MMP8MCL1
SCHEMBL9189798 0.91 HTT (0.51) HTTNPSR1MMP13MMP8MMP1
SCHEMBL9186576 0.91 ALDH1A1 (0.47) MCL1MMP1KMT2AALDH1A1KDM4E
SCHEMBL9191631 0.89 ALDH1A1 (0.46) MCL1MMP1KMT2AALDH1A1KDM4E
SCHEMBL9190254 0.89 ALDH1A1 (0.46) MCL1MMP1KMT2AALDH1A1KDM4E
SCHEMBL9189743 0.89 ALDH1A1 (0.46) MCL1MMP1KMT2AALDH1A1KDM4E
SCHEMBL9191795 0.89 ALDH1A1 (0.46) MCL1MMP1KMT2AALDH1A1KDM4E
SCHEMBL9189331 0.89 ALDH1A1 (0.46) MCL1MMP1KMT2AALDH1A1KDM4E
SCHEMBL9184294 0.89 ALDH1A1 (0.46) MCL1MMP1KMT2AALDH1A1KDM4E

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
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