SCHEMBL8322198

SCHEMBL8322198

CCOC(C)Oc1ccc([S+](c2ccccc2)c2ccc(OC(C)OCC)cc2)cc1.CS(=O)(=O)[O-]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 3/20 0.33
CNR2 P34972 2/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL8320379 0.88 KAT6A (0.34) MTNR1AMTNR1BALDH1A1
SCHEMBL8649082 0.88 DAGLA (0.31) L3MBTL1LMNACNR2DAGLA
SCHEMBL8644958 0.87 DAGLA (0.32) L3MBTL1LMNAMAPTMTNR1AMTNR1B
SCHEMBL8322763 0.84 LMNA (0.41) LMNAMTNR1AMTNR1BPOLB
SCHEMBL8649489 0.82
SCHEMBL8649847 0.82 NPSR1 (0.35) LMNAMAPTMEN1KMT2AGAA
SCHEMBL8317348 0.80 ALDH1A1 (0.32) LMNAMAPTGAAMAPK1ALDH1A1
SCHEMBL8649883 0.78 KAT6A (0.33) MEN1KMT2AALDH1A1
SCHEMBL8649691 0.78 GRM2 (0.36) L3MBTL1GAAHTTALDH1A1HPGD
SCHEMBL6140592 0.78 LMNA (0.37) LMNACNR2KMT2AMAPK1HTT

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