SCHEMBL8649233

SCHEMBL8649233

O=S(=O)(OS(c1cccc(OC2CCCO2)c1)(c1cccc(OC2CCCO2)c1)c1cccc(OC2CCCO2)c1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ENPP3 O14638 3/20 0.35
ENPP1 P22413 2/20 0.35
ENPP2 Q13822 2/20 0.35
DHFR P00374 1/20 0.35
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
KCNA5 P22460 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL8647661 0.87 ENPP3 (0.40) ENPP3ENPP1ENPP2TSHRKDM4E
SCHEMBL8645327 0.84 KAT6A (0.34) TP53DHFRHSD11B1TSHRDDB1
SCHEMBL8645085 0.81 DHFR (0.37) DHFRHSD11B1TSHRDDB1CRBN
SCHEMBL8649688 0.80 TSHR (0.38) TP53DHFRHSD11B1TSHRDDB1
SCHEMBL8319790 0.80 DDB1 (0.39) TP53DHFRHSD11B1TSHRDDB1
SCHEMBL8649231 0.78 TP53 (0.41) TP53DHFRHSD11B1TSHRKDM4E
SCHEMBL8648971 0.78 TSHR (0.36) TP53DHFRHSD11B1TSHRDDB1
SCHEMBL8649659 0.77 DHFR (0.40) DHFRHSD11B1TSHRDDB1CRBN
SCHEMBL8321361 0.77 GAA (0.37) TP53DHFRHSD11B1TSHRDDB1
SCHEMBL8319160 0.76 HSD11B1 (0.41) DHFRHSD11B1DDB1CRBNMEN1

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed