SCHEMBL5592965

SCHEMBL5592965

O=C1O[C]1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.36
DAO P14920 1/20 0.35
PTPN1 P18031 2/20 0.35
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
CDC25B P30305 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CRBN Q96SW2 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL10444678 0.97
SCHEMBL8626050 0.92
SCHEMBL6238652 0.76 KMT2A (0.36) CELDAOPTPN1PTPRCPTPRF
SCHEMBL13592856 0.72 KDM4E (0.39) CELDAOMAOAMAOB
SCHEMBL1075919 0.72 TDO2 (0.30)
SCHEMBL304318 0.72 CEL (0.33) CELDAOPTPN1PTPRCPTPRF
SCHEMBL14620427 0.72 CEL (0.33) CELDAOPTPN1PTPRCPTPRF
SCHEMBL14620035 0.72 CEL (0.33) CELDAOPTPN1PTPRCPTPRF
SCHEMBL1898536 0.67 PTPN1 (0.44) CELDAOPTPN1PTPRCPTPRF
SCHEMBL10679447 0.67 KMT2A (0.34) CELPTPN1PTPRCPTPRFCDC25B

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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed