SCHEMBL11043932

SCHEMBL11043932

COc1ccc(C(C)CCOS(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
APLNR P35414 1/20 0.42
MMP13 P45452 3/20 0.42
MMP1 P03956 2/20 0.42
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
BMP1 P13497 1/20 0.38

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
SCHEMBL4860400 0.91 CA1 (0.42) CA1CA2ACHEAPLNRMMP13
SCHEMBL8902034 0.89 ALDH1A1 (0.44) CA1CA2ACHEAPLNRMMP13
SCHEMBL18740520 0.85 APLNR (0.44) CA1CA2ACHEAPLNRMMP13
SCHEMBL10472662 0.81 RIPK1 (0.46) ALDH1A1
SCHEMBL9396248 0.79 ALDH1A1 (0.42) CA1CA2ACHEAPLNRMMP13
SCHEMBL11043933 0.77 CA1 (0.47) CA1CA2ACHEMMP13MMP1
SCHEMBL27032395 0.76 APLNR (0.45) APLNRMMP13MMP1PKMPOLB
SCHEMBL27128308 0.76 APLNR (0.45) APLNRMMP13MMP1PKMPOLB
SCHEMBL5973042 0.75 MMP13 (0.36) CA1CA2ACHEAPLNRMMP13
SCHEMBL5973045 0.75 MMP13 (0.36) CA1CA2ACHEAPLNRMMP13

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
US-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed