SCHEMBL3698749

SCHEMBL3698749

O=S(=O)(O)OS(=O)(=O)Oc1cccc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX12 P18054 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
CDK2 P24941 2/20 0.39
ADAMTS4 O75173 1/20 0.39
EGFR P00533 1/20 0.39
FYN P06241 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL1879537 0.84 LMNA (0.50) ALDH1A1LMNAHPGDALOX15HSD17B10
Naphthalene SCHEMBL27698306 0.78 FABP1 (0.49) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3480009 0.75 ALDH1A1 (0.54) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL2900971 0.73 ALDH1A1 (0.42) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL28833567 0.72 ALDH1A1 (0.50) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL78824 0.71 TDP1 (0.41) ALDH1A1LMNAKDM4ETP53MAPK1
SCHEMBL28100659 0.71 HSD11B1 (0.51) ALDH1A1LMNAHPGDALOX15HSD17B10
3-Methoxycatechol SCHEMBL29636518 0.71 TP53 (0.79) ALDH1A1LMNAHPGDALOX15HSD17B10
3-Methoxycatechol SCHEMBL18396654 0.71 TP53 (0.79) ALDH1A1LMNAHPGDALOX15HSD17B10
Catechol SCHEMBL1143840 0.71 CA2 (0.53) ALDH1A1LMNAHPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120119420-A1 Nano metric composite ceramic component HOWMEDICA OSTEONICS CORP. 2012-05-17 US claimed