SCHEMBL11575725

SCHEMBL11575725

CS(=O)(=O)O.CS(=O)(=O)O.OC=CCCO

nearest known ligand 0.34

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 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34

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
Formic Acid SCHEMBL14713150 0.95 CA1 (0.32) CA1CA9
Formic Acid SCHEMBL2166779 0.85 CA1 (0.34) CA1CA9
SCHEMBL418019 0.81
SCHEMBL124660 0.81
SCHEMBL124659 0.81
SCHEMBL27942472 0.80 CA1 (0.34) CA1CA9
Formic Acid SCHEMBL2168725 0.79 CA1 (0.31) CA1CA9
Acetic Acid SCHEMBL2165981 0.78 CA1 (0.38) CA1CA9
Acetic Acid SCHEMBL11357261 0.77 CA1 (0.41) CA1CA9
SCHEMBL28853075 0.73 PPARA (0.55)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4128538-A Crosslinking polymeric dye mordant composition reaction product of bisalkane or bisarene sulfonate and vinyl polymer EASTMAN KODAK COMPANY (US) 1978-12-05 US claimed
US-4128538-A Crosslinking polymeric dye mordant composition reaction product of bisalkane or bisarene sulfonate and vinyl polymer EASTMAN KODAK COMPANY (US) 1978-12-05 US disclosed