SCHEMBL12784233

SCHEMBL12784233

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
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
SCHEMBL17011638 0.84 CA2 (0.31) HSPD1BLMHSPE1CA2MAPK1
SCHEMBL14641726 0.83 CA2 (0.30) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL18535321 0.81 CA1 (0.32) CA2
SCHEMBL9979404 0.81 HSPD1 (0.32) HSPD1BLMHSPE1
SCHEMBL28678611 0.79 CA2 (0.38) HSPD1BLMHSPE1CA2MAPK1
SCHEMBL26747139 0.79
SCHEMBL12784196 0.78 MMP8 (0.35)
SCHEMBL22020004 0.78 MMP3 (0.32)
SCHEMBL18630014 0.76
SCHEMBL20018659 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021080565-A1 THREE-DIMENSIONAL PRINTING WITH TINTED ANTI-COALESCING AGENTS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2021-04-29 WO disclosed
EP-3200023-A1 MANUFACTURING METHOD FOR LAMINATE CONTAINING PATTERNED LAYERS TO BE PLATED, MANUFACTURING METHOD FOR LAMINATE CONTAINING METAL LAYERS, TOUCH PANEL SENSOR, TOUCH PANEL, LAMINATE CONTAINING PATTERNED LAYERS TO BE PLATED, AND LAMINATE CONTAINING METAL LAYERS Fujifilm Corporation (JP) 2017-08-02 EP disclosed
EP-1183048-B1 POLYMERS, COMPOSITIONS AND METHODS OF USE FOR FOAMS, LAUNDRY DETERGENTS, SHOWER RINSES, AND COAGULANTS RHODIA (US) 2011-04-06 EP disclosed