SCHEMBL8949994

SCHEMBL8949994

C=CCOC(=O)C(CC(=O)OOCC)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4962696 0.99 RECQL (0.39) RECQLTSHRTDP1SMN1; SMN2
SCHEMBL2869403 0.87 RECQL (0.43) RECQLTSHRTDP1SMN1; SMN2
SCHEMBL8950000 0.84 RECQL (0.43) RECQLTSHRTDP1SMN1; SMN2
SCHEMBL4244326 0.83 RECQL (0.41) RECQLTSHRTDP1SMN1; SMN2
SCHEMBL568267 0.83 RECQL (0.41) RECQLTSHRTDP1SMN1; SMN2
SCHEMBL4962702 0.82 RECQL (0.44) RECQLTSHRTDP1SMN1; SMN2
SCHEMBL87406 0.81 RECQL (0.42) RECQLTSHRTDP1SMN1; SMN2
SCHEMBL5491881 0.81 RECQL (0.42) RECQL
SCHEMBL19731034 0.80 RECQL (0.39) RECQLTSHRTDP1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL10978983 0.80 RECQL (0.41) RECQLTSHRTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500217-A MICROBIOCIDE FOR COSMETICS ZENECA LIMITED (GB) 1996-03-19 US disclosed
EP-0498636-B1 Cosmetic composition ZENECA LTD (GB) 1995-09-06 EP disclosed
EP-0607202-B1 A SOLID CLEANSING BAR NEPHIN (IE) 1995-06-21 EP disclosed
WO-1995003782-A1 PEARLESCENT BASED CONCENTRATE FOR PERSONAL CARE PRODUCTS ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1995-02-09 WO disclosed
WO-1992013520-A1 COMPOSITION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-20 WO disclosed
EP-0498636-A1 Cosmetic composition ZENECA LIMITED (GB) 1992-08-12 EP disclosed