SCHEMBL5842902

SCHEMBL5842902

COCCC1(CCOC)c2cc(C(=O)CBr)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.36
▸ GSK3B P49841 5/20 0.35
▸ SLC16A3 O15427 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ PDK2 Q15119 7/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5842894 0.87 PTPN1 (0.40) PTPN1GSK3BPDK2ALDH1A1HDAC6
SCHEMBL5842898 0.82 PTPN1 (0.36) PTPN1GSK3BSLC16A3SLC16A1PDK2
SCHEMBL5841349 0.81 PDK2 (0.39) SLC16A3SLC16A1PDK2ALDH1A1APEX1
SCHEMBL19829863 0.78 PDK2 (0.33) SLC16A3SLC16A1PDK2ALDH1A1
SCHEMBL20856011 0.78 PDK2 (0.38) PDK2ALDH1A1APEX1SMN1; SMN2
SCHEMBL30272669 0.78 PDK2 (0.38) PDK2ALDH1A1APEX1SMN1; SMN2
SCHEMBL25132561 0.74 HDAC6 (0.33) PDK2ALDH1A1HPGDHDAC6
SCHEMBL3793042 0.73 PDK2 (0.40) PDK2ALDH1A1RAB9AHDAC6SMN1; SMN2
SCHEMBL30534206 0.72 PDK2 (0.46) PDK2ALDH1A1RAB9AHPGDNPC1
SCHEMBL5842911 0.72 PTPN1 (0.34) PTPN1GSK3BPDK2

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
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