SCHEMBL10929263

SCHEMBL10929263

CCCC(=O)OC1CCC(C2CCC(OC(=O)CCC)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.55
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
EPHX1 P07099 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SLC18A3 Q16572 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL10929265 1.00 NAAA (0.55) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL8690677 0.94
SCHEMBL10704430 0.91 CYP19A1 (0.49) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL11022563 0.89 NAAA (0.46) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL10341162 0.89 NAAA (0.46) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL10341154 0.89 NAAA (0.46) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL11408733 0.89 NAAA (0.46) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL10706278 0.89 NAAA (0.46) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL10726613 0.89 NAAA (0.46) NAAAALDH1A1SMN1; SMN2CYP19A1GAA
SCHEMBL10678323 0.88 NAAA (0.45) NAAAALDH1A1SMN1; SMN2CYP19A1GAA

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
JP-60019749-A None JP disclosed
JP-S6019749-A ESTER DERIVATIVE OF TRANS,TRANS-BICYCLOHEXANE-4,4'-DIOL CHISSO CORP 1985-01-31 JP disclosed