SCHEMBL6917892

SCHEMBL6917892

C=CCc1ccccc1Oc1ccccc1CC=C.CCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
ADRB2 P07550 4/20 0.40
ADRB1 P08588 3/20 0.40
LMNA P02545 2/20 0.40
HTR1A P08908 2/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40

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 SCHEMBL11031379 0.88 ALDH1A1 (0.46) ALDH1A1ICAM1SELEVCAM1ADRB2
Sulfuric Acid SCHEMBL1678480 0.86 ICAM1 (0.47) ALDH1A1ICAM1SELEVCAM1ADRB2
Sulfuric Acid SCHEMBL9770145 0.85 ICAM1 (0.46) ALDH1A1ICAM1SELEVCAM1ADRB2
Sulfuric Acid SCHEMBL6263795 0.85 ICAM1 (0.46) ALDH1A1ICAM1SELEVCAM1ADRB2
Sulfuric Acid SCHEMBL1074745 0.85 ICAM1 (0.46) ALDH1A1ICAM1SELEVCAM1ADRB2
Sulfuric Acid SCHEMBL11324839 0.85 ICAM1 (0.46) ALDH1A1ICAM1SELEVCAM1ADRB2
Sulfuric Acid SCHEMBL21225308 0.83 ICAM1 (0.45) ALDH1A1ICAM1SELEVCAM1ADRB2
SCHEMBL4296256 0.81 ICAM1 (0.44) ALDH1A1ICAM1SELEVCAM1ADRB2
SCHEMBL1164563 0.79 MAPT (0.41) ALDH1A1ADRB2ADRB1LMNAHTR1A
SCHEMBL15951404 0.79 ICAM1 (0.43) ALDH1A1ICAM1SELEVCAM1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412264-B1 Use of aqueous fluids as hydraulic fluids HUELS CHEMISCHE WERKE AG (DE) 1994-06-01 EP claimed
US-6736211-B2 ENHANCED OIL RECOVERY FROM SUBTERRANEAN FORMATION OIL CHEM TECHNOLOGIES 2004-05-18 US disclosed
US-20040011526-A1 Method of using alkylsulfonated phenol/aldehyde resins as adsorption reducing agents for chemical flooding and soil remediation OIL CHEM TECHNOLOGIES, INC. 2004-01-22 US disclosed
US-4507211-A ENHANCED OIL RECOVERY TEXACO, INC. (US) 1985-03-26 US disclosed
US-4507211-A ENHANCED OIL RECOVERY TEXACO, INC. (US) 1985-03-26 US disclosed