SCHEMBL5842438

SCHEMBL5842438

COCCC1(CCOC)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.44
APEX1 P27695 1/20 0.38
PTPRC P08575 1/20 0.34
BACE1 P56817 2/20 0.34
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17361168 0.92 PDK2 (0.36) PDK2BACE1HPGDLMNAALDH1A1
SCHEMBL20872220 0.92 PDK2 (0.40) PDK2APEX1PTPRCBACE1ALDH1A1
SCHEMBL18677952 0.92 PDK2 (0.40) PDK2APEX1PTPRCBACE1ALDH1A1
SCHEMBL5095683 0.92 PDK2 (0.40) PDK2APEX1PTPRCBACE1ALDH1A1
SCHEMBL30004248 0.85 APEX1 (0.48) PDK2APEX1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5329061 0.85 APEX1 (0.48) PDK2APEX1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16024284 0.85 PDK2 (0.35) PDK2HPGDLMNAALDH1A1MAPT
SCHEMBL20147100 0.84 PDK2 (0.33) PDK2BACE1HPGDLMNAALDH1A1
SCHEMBL18415976 0.84 APEX1 (0.47) PDK2APEX1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4830511 0.83 PDK2 (0.33) PDK2BACE1HPGDLMNAALDH1A1

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
US-7132572-B2 Fullerene compounds Chiang, Long Y. (US) 2006-11-07 US disclosed
US-20050191229-A1 Fullerene compounds CHIANG, LONG Y. 2005-09-01 US disclosed
WO-2004007426-A1 FULLERENE COMPOUNDS CHIANG LONG Y (US) 2004-01-22 WO disclosed