SCHEMBL2565786

SCHEMBL2565786

COc1cccc(SC)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.59
KDM4E B2RXH2 3/20 0.59
TP53 P04637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 2/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 2/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX12 P18054 1/20 0.59
POLB P06746 2/20 0.49
TLR2 O60603 1/20 0.48
ERN1 O75460 1/20 0.48
TLR1 Q15399 1/20 0.48
TLR6 Q9Y2C9 1/20 0.48
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45

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
Syringol SCHEMBL156388 0.79 KDM4E (0.80) HSD17B10KDM4ETP53ALDH1A1MAPT
SCHEMBL199801 0.79 GABRA1 (0.42) HSD17B10KDM4ETP53ALDH1A1MAPT
SCHEMBL71009 0.78 CA1 (0.57) HSD17B10KDM4ETP53ALDH1A1MAPT
SCHEMBL30514820 0.78 CA1 (0.57) HSD17B10KDM4ETP53ALDH1A1MAPT
Syringol SCHEMBL6049240 0.77 KDM4E (0.76) HSD17B10KDM4ETP53ALDH1A1MAPT
Syringol SCHEMBL7610366 0.77 KDM4E (0.76) HSD17B10KDM4ETP53ALDH1A1MAPT
Syringol SCHEMBL8986496 0.77 KDM4E (0.76) HSD17B10KDM4ETP53ALDH1A1MAPT
SCHEMBL13696441 0.77 POLB (0.46) HSD17B10KDM4ETP53ALDH1A1MAPT
SCHEMBL8425831 0.77 CYP1A2 (0.47) HSD17B10KDM4ETP53ALDH1A1MAPT
SCHEMBL700365 0.77 POLB (0.46) HSD17B10KDM4ETP53ALDH1A1MAPT

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
EP-2383245-A2 Method for continuous oxidation of thioethers Bayer Technology Services GmbH (DE) 2011-11-02 EP disclosed