SCHEMBL9190656

SCHEMBL9190656

Cc1ccc(S(=O)(=O)CCCCOc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
P4HB P07237 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
PAX8 Q06710 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MCL1 Q07820 2/20 0.47
STAT3 P40763 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOB P27338 4/20 0.46
PPARD Q03181 1/20 0.45
XDH P47989 1/20 0.44

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
SCHEMBL9190867 0.99 ALDH1A1 (0.52) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL9186791 0.99 ALDH1A1 (0.52) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL9191159 0.99 ALDH1A1 (0.52) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL9191358 0.99 ALDH1A1 (0.52) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL9190354 0.99 ALDH1A1 (0.52) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL9190157 0.99 ALDH1A1 (0.52) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL9189871 0.97 ALDH1A1 (0.50) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL51329 0.96 ALDH1A1 (0.54) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL26431 0.95 ALDH1A1 (0.53) ALDH1A1KMT2ALMNATP53P4HB
SCHEMBL9191389 0.93 KMT2A (0.55) ALDH1A1KMT2ALMNATP53P4HB

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-0403833-B1 Recording material NEW OJI PAPER CO LTD (JP) 1995-09-27 EP disclosed
US-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US 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