SCHEMBL9567302

SCHEMBL9567302

CCCCC(C(=O)OCC)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
CA2 P00918 4/20 0.40
CA1 P00915 2/20 0.40
TP53 P04637 1/20 0.37
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
CPB2 Q96IY4 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL9567278 0.93 ZDHHC7 (0.43) CA2TP53MMP9MMP13ZDHHC7
SCHEMBL5694497 0.83 RECQL (0.42) RECQLCA2CA1TP53MMP9
SCHEMBL9888774 0.81 LMNA (0.42) RECQLCA2CA1TP53MMP9
SCHEMBL18978399 0.81 ALDH1A1 (0.39) RECQLCA2CA1ALDH1A1CPB2
SCHEMBL12687306 0.81 ALDH1A1 (0.39) RECQLCA2CA1ALDH1A1CPB2
SCHEMBL31454832 0.79 ALDH1A1 (0.40) RECQLCA2CA1ALDH1A1CPB2
SCHEMBL2018257 0.79 ALDH1A1 (0.40) RECQLCA2CA1ALDH1A1CPB2
SCHEMBL13671237 0.79 ZDHHC7 (0.53) CA2CA1TP53MMP9MMP13
SCHEMBL9621468 0.78 RECQL (0.48) RECQLCA2TP53MMP9MMP13
SCHEMBL28398863 0.78 RECQL (0.48) RECQLCA2TP53MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576287-A1 Cosmetic compositions UNILEVER PLC (GB) 1993-12-29 EP disclosed