SCHEMBL8319100

SCHEMBL8319100

c1cc([S+](c2ccc(OC3CCCO3)cc2)c2ccc(OC3CCCO3)cc2)ccc1OC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHFR P00374 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PDE4B Q07343 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
CXCR4 P61073 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL8323376 0.95 TNK2 (0.40) TNK2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13131043 0.89 MEN1 (0.39) TNK2MEN1KMT2ASMN1; SMN2DHFR
SCHEMBL13130990 0.89 MEN1 (0.39) TNK2MEN1KMT2ASMN1; SMN2DHFR
SCHEMBL8325663 0.88 GAA (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13130994 0.88 TRPA1 (0.39) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL8327555 0.84 DDB1 (0.36) TNK2MEN1KMT2ASMN1; SMN2DHFR
SCHEMBL8323056 0.84 LMNA (0.38) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3500438 0.83 TNK2 (0.44) TNK2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8647659 0.83 CXCR4 (0.35) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8078734 0.83 SLC12A2 (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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