SCHEMBL9305036

SCHEMBL9305036

CCC(C)NC(=O)NS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 2/20 0.40
ALB P02768 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL23467914 0.84 GAA (0.69) GAACA12CA1CA2CA9
SCHEMBL8927097 0.79 GAA (0.50) GAACA12CA1CA2CA9
SCHEMBL8391028 0.78 ALDH1A1 (0.51) ALDH1A1LMNATSHRCYP3A4THRB
SCHEMBL9305685 0.77 GAA (0.48) GAACA12CA1CA2CA9
SCHEMBL6644742 0.74 CA1 (0.45) CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL3488898 0.72 SMN1; SMN2 (0.61) TSHRSMN1; SMN2TDP1EPHX2
SCHEMBL8890921 0.70 CA12 (0.45) GAACA12CA1CA2CA9
SCHEMBL9225785 0.70 RAB9A (0.50) GAACA12CA1CA2CA9
SCHEMBL13323567 0.70 GAA (0.49) GAACA12CA1CA2CA9
SCHEMBL24568195 0.70 SMN1; SMN2 (0.56) GAACYP3A4CYP2C19SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364780-A Genetic engineering with DNA and promoters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-15 US claimed
EP-0463056-A1 EXTERNAL REGULATION OF GENE EXPRESSION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-02 EP claimed
WO-1990011361-A1 EXTERNAL REGULATION OF GENE EXPRESSION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-04 WO claimed
EP-0388186-A1 External regulation of gene expression E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-19 EP claimed