SCHEMBL8210289

SCHEMBL8210289

CCCCCCCC(=O)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MCHR1 Q99705 1/20 0.46
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALB P02768 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
DGKA P23743 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 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
SCHEMBL7057715 1.00 ALDH1A1 (0.48) ALDH1A1MCHR1LMNATDP1ALB
Ammonia Solution, Strong SCHEMBL27383584 0.98 ALDH1A1 (0.47) ALDH1A1MCHR1LMNATDP1ALB
SCHEMBL8208205 0.98 ALDH1A1 (0.46) ALDH1A1MCHR1LMNATDP1ALB
SCHEMBL27659885 0.94 ALDH1A1 (0.47) ALDH1A1MCHR1LMNATDP1ALB
Water SCHEMBL14635602 0.92 KMT2A (0.46) ALDH1A1MCHR1LMNATDP1ALB
SCHEMBL10730060 0.92 FAAH (0.48) KMT2AMEN1
SCHEMBL9808856 0.92 FAAH (0.48) KMT2AMEN1
SCHEMBL1914560 0.92 FAAH (0.48) KMT2AMEN1
SCHEMBL7182276 0.89 DGKA (0.43) ALDH1A1LMNADGKACA1CA2
SCHEMBL7187298 0.89 DGKA (0.43) ALDH1A1LMNADGKACA1CA2

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
US-5449387-A Cerium (IV) catalyst compounds and promoting combustion of hydrocarbon fuels therewith RHONE-POULENC CHEMICALS LIMITED (GB) 1995-09-12 US claimed
EP-0988283-A2 PEROXYACIDS UNILEVER PLC (GB) 2000-03-29 EP disclosed
WO-1998056760-A1 PEROXYACIDS UNILEVER PLC (GB) 1998-12-17 WO disclosed
US-5674985-A REACTING A CERIUM SALT WITH A OXYACID RHONE-POULENC CHEMICALS LIMITED (GB) 1997-10-07 US disclosed
US-5449387-A Cerium (IV) catalyst compounds and promoting combustion of hydrocarbon fuels therewith RHONE-POULENC CHEMICALS LIMITED (GB) 1995-09-12 US disclosed