SCHEMBL8324624

SCHEMBL8324624

c1cc(OC2CCCO2)cc([S+](c2cccc(OC3CCCO3)c2)c2cccc(OC3CCCO3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
HSD11B1 P28845 1/20 0.37
KDM4C Q9H3R0 1/20 0.33
PDE4B Q07343 2/20 0.33
HPGD P15428 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TP53 P04637 3/20 0.32
RAB9A P51151 2/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8321729 0.95 DHFR (0.47) DHFRHSD11B1KDM4CPDE4BSLC6A2
SCHEMBL8322550 0.87 GAA (0.37) DHFRHSD11B1HPGDTP53ALDH1A1
SCHEMBL8319788 0.86 LMNA (0.36) DHFRHSD11B1KDM4CPDE4BHPGD
SCHEMBL8325993 0.85 DHFR (0.41) DHFRHSD11B1KDM4CPDE4BTP53
SCHEMBL8649231 0.84 TP53 (0.41) DHFRHSD11B1TP53RAB9ACTSD
SCHEMBL8649686 0.83 TSHR (0.38) DHFRHSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL8319157 0.83 DHFR (0.39) DHFRHSD11B1KDM4CSLC6A3RAB9A
SCHEMBL3184997 0.82 DHFR (0.53) DHFRHSD11B1KDM4CPDE4BSLC6A2
SCHEMBL17120782 0.81 DHFR (0.44) DHFRHSD11B1KDM4CRAB9ANPC1
SCHEMBL8321358 0.81 GAA (0.35) DHFRHSD11B1HPGDTP53ALDH1A1

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed