SCHEMBL6983415

SCHEMBL6983415

CCC(C)(C)C(C(=O)O)C(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.31
TP53 P04637 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13940318 0.86 SLC7A5 (0.33) SLC7A5TP53CA2MAPK1CHRM1
SCHEMBL142216 0.84 CHRM1 (0.36) TP53CA2MAPK1CHRM1AKR1A1
SCHEMBL14818326 0.82 CA2 (0.32) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL19084199 0.81 SLC7A5 (0.30) SLC7A5
SCHEMBL10038336 0.80 TP53 (0.32) TP53CA2MAPK1CHRM1AKR1A1
SCHEMBL22355731 0.79 TP53 (0.38) SLC7A5TP53
SCHEMBL19085972 0.78
SCHEMBL28248207 0.77 CA2 (0.32) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL19872795 0.76 CA2 (0.31) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL5159452 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183179-B2 System, method, and apparatus for acid fracturing with scale inhibitor protection SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2012-05-22 US disclosed
US-20110127039-A1 SYSTEM, METHOD, AND APPARATUS FOR ACID FRACTURING WITH SCALE INHIBITOR PROTECTION GARCIA-LOPEZ DE VICTORIA MARIELIZ 2011-06-02 US disclosed