SCHEMBL14724583

SCHEMBL14724583

COC(=O)c1ccc(C#Cc2ccc(OCC(CO)N=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ PTPN11 Q06124 1/20 0.45
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ACACB O00763 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL14715162 0.83 LMNA (0.61) MAPTALDH1A1LMNAGAATSHR
SCHEMBL14724487 0.80 GAA (0.55) MAPTALDH1A1LMNAGAATSHR
SCHEMBL28335563 0.76 MAPT (0.64) MAPTALDH1A1LMNAGAATSHR
SCHEMBL69268 0.75 PTPN11 (0.69) MAPTALDH1A1TSHRRAB9APTPN11
SCHEMBL28317169 0.75 LMNA (0.68) MAPTALDH1A1LMNAGAATSHR
SCHEMBL25334000 0.74 MAPT (0.66) MAPTALDH1A1LMNAGAATSHR
SCHEMBL20252721 0.74 CA1 (0.60) MAPTALDH1A1TSHRRAB9APTPN11
SCHEMBL14724525 0.74 PKM (0.42) TSHRPTPN11ACACB
SCHEMBL20765902 0.73 MAPT (0.68) MAPTALDH1A1LMNAGAATSHR
SCHEMBL2262978 0.72 MAPT (0.58) MAPTALDH1A1LMNAGAATSHR

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
EP-2562155-A1 NOVEL HYDROXAMIC ACID DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-02-27 — — EP disclosed
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