SCHEMBL3662936

SCHEMBL3662936

C=CCC(C(=O)O)(C(CCCCCCCC)C(=O)O)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.46
BLM P54132 1/20 0.46
HSPE1 P61604 1/20 0.46
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR84 Q9NQS5 7/20 0.38
FFAR1 O14842 2/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.37
ZDHHC2 Q9UIJ5 2/20 0.37
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL5562100 1.00 HSPD1 (0.46) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL1115579 0.94 HSPD1 (0.38) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL3655594 0.94 HSPD1 (0.41) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL3660593 0.94 HSPD1 (0.41) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL1115344 0.89 CHRM1 (0.32) HSPD1BLMHSPE1
SCHEMBL3657366 0.88 HSPD1 (0.35) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL8529067 0.83 HSPD1 (0.50) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL930254 0.83 HSPD1 (0.50) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL8163556 0.83 HSPD1 (0.50) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL4304319 0.83 HSPD1 (0.50) HSPD1BLMHSPE1MEN1HPGD

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
EP-2215134-A2 REDUCTION OF THE FORMATION OF BIOFILM BY MEANS OF MULTIFUNCTIONAL COPOLYMERS Henkel AG & Co. KGaA (DE) 2010-08-11 EP disclosed
WO-2009071451-A2 REDUCTION OF THE FORMATION OF BIOFILM BY MEANS OF MULTIFUNCTIONAL COPOLYMERS HENKEL AG & CO. KGAA (DE) 2009-06-11 WO disclosed