SCHEMBL8579286

SCHEMBL8579286

COC(=O)C1(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
VCAM1 P19320 1/20 0.36
CHRM3 P20309 1/20 0.36
P2RY1 P47900 1/20 0.35
HTT P42858 2/20 0.35
EGFR P00533 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL10703712 0.83 AKR1C1 (0.47) CA2CA1ALDH1A1TDP1GAA
SCHEMBL8849891 0.83 AKR1C1 (0.47) CA2CA1ALDH1A1TDP1GAA
SCHEMBL9348255 0.82 LMNA (0.49) CA2CA1ALDH1A1TDP1GAA
SCHEMBL30389694 0.76 HRH3 (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2CHRM3
SCHEMBL10701913 0.75 ACHE (0.45) CA2CA1ALDH1A1TDP1GAA
SCHEMBL6066750 0.74 GAA (0.43) CA2CA1ALDH1A1TDP1GAA
SCHEMBL297823 0.74 ACHE (0.58) CA2CA1ALDH1A1TDP1GAA
Bicarbonate SCHEMBL11054659 0.74 GLRA3 (0.43) CA2CA1ALDH1A1TDP1GAA
SCHEMBL30683843 0.74 HRH3 (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2CHRM3
SCHEMBL4830534 0.73 HDAC4 (0.43) ALDH1A1TDP1GAALMNASMN1; SMN2

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-5814713-A CONDUCTING POLYMERIZATION IN THE PRESENCE OF A POLYMERIZATION INITIATOR, A PARAFFIN WAX, AND AN EMULSIFIER DAIKIN INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed