SCHEMBL11076220

SCHEMBL11076220

O=S(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 4/20 0.46
PGR P06401 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR1B P28222 5/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DAO P14920 1/20 0.43
KCNA3 P22001 1/20 0.43
OGG1 O15527 1/20 0.42
HTR1D P28221 1/20 0.42
MAPT P10636 1/20 0.41
SLC6A4 P31645 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
SCHEMBL8620189 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL15254631 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL8009306 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL11532510 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL16846616 0.75 HTR1B (0.48) ALDH1A1KDM4ETDP1HSD17B10PGR
SCHEMBL4438755 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL442767 0.74 HTR1B (0.54) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL29577853 0.74 HTR1B (0.54) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL4289478 0.74 HTR1B (0.59) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL19320580 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1HPGDHSD17B10

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-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 US disclosed