SCHEMBL11330205

SCHEMBL11330205

C=C(C)C(=O)OC(C)[N+](C)(C)C.CS(=O)(=O)[O-]

nearest known ligand 0.36

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
TSHR P16473 1/20 0.36
ALDH1A1 P00352 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
Sulfuric Acid SCHEMBL1843212 0.95 TSHR (0.37) TSHRALDH1A1
Sulfuric Acid SCHEMBL9223981 0.93 TSHR (0.36) TSHRALDH1A1
Sulfuric Acid SCHEMBL662901 0.93 TSHR (0.36) TSHRALDH1A1
Sulfuric Acid SCHEMBL27731577 0.91 TSHR (0.35) TSHRALDH1A1
SCHEMBL27570762 0.91 ALDH1A1 (0.40) TSHRALDH1A1
Sulfuric Acid SCHEMBL28007289 0.90 TSHR (0.34) TSHRALDH1A1
SCHEMBL691735 0.90 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL11203646 0.90 ALDH1A1 (0.36) TSHRALDH1A1
Sulfuric Acid SCHEMBL27579978 0.89 TSHR (0.38) TSHRALDH1A1
SCHEMBL199577 0.89 TSHR (0.43) TSHRALDH1A1

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
CN-104411289-A Alkyl glycoside-based micellar thickeners for surfactant systems LUBRIZOL ADVANCED MAT INC 2015-03-11 CN disclosed
US-4283517-A BY HEATING IMMEDIATELY PRIOR TO DEPOSITING ON A BELT MILCHEM INCORPORATED (US) 1981-08-11 US disclosed