SCHEMBL8959110

SCHEMBL8959110

CCCCC(CC)COC(=O)Oc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ CA2 P00918 1/20 0.49
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ ATM Q13315 2/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ MMP9 P14780 3/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP2 P08253 4/20 0.38
▸ MMP14 P50281 2/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ MMP8 P22894 1/20 0.37

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
SCHEMBL9351930 0.99 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2RECQLTDP1
SCHEMBL8959115 0.88 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2RECQLTDP1
SCHEMBL8614257 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2RECQLTDP1
SCHEMBL28023159 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2RECQLTDP1
SCHEMBL11177661 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2RECQLTDP1
SCHEMBL6104972 0.82 CYP3A4 (0.46) ALDH1A1CYP3A4CA2RECQLTDP1
SCHEMBL8958816 0.82 MMP2 (0.50) CA2RECQLTDP1LMNATSHR
SCHEMBL11170916 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2RECQLTDP1
SCHEMBL10961144 0.79 THRB (0.52) ALDH1A1CYP3A4CA2TDP1LMNA
SCHEMBL8958935 0.78 S1PR3 (0.49) ALDH1A1LMNATSHRMMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931865-B1 DETERGENT COMPOSITION UNILEVER NV (NL) 2016-08-24 — — EP claimed
EP-2931865-A1 DETERGENT COMPOSITION Unilever N.V. (NL) 2015-10-21 — — EP claimed
WO-2014090568-A1 DETERGENT COMPOSITION UNILEVER N.V. (NL) 2014-06-19 — — WO claimed
EP-2931865-B1 DETERGENT COMPOSITION UNILEVER NV (NL) 2016-08-24 — — EP disclosed
EP-2931865-A1 DETERGENT COMPOSITION Unilever N.V. (NL) 2015-10-21 — — EP disclosed
CN-104822816-A Detergent composition UNILEVER NV 2015-08-05 — — CN disclosed
WO-2014090568-A1 DETERGENT COMPOSITION UNILEVER N.V. (NL) 2014-06-19 — — WO disclosed
EP-0202698-B2 P-sulphophenyl alkyl carbonates and their use as bleaching activators AKZO NOBEL NV (NL) 1996-01-24 — — EP disclosed
US-5043089-A Bleach activators AKZO N.V. (NL) 1991-08-27 — — US disclosed
EP-0202698-B1 P-SULPHOPHENYL ALKYL CARBONATES AND THEIR USE AS BLEACHING ACTIVATORS Akzo Nobel N.V. (NL) 1989-10-25 — — EP disclosed
EP-0202698-A1 P-sulphophenyl alkyl carbonates and their use as bleaching activators Akzo Nobel N.V. (NL) 1986-11-26 — — EP disclosed
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