SCHEMBL6568619

SCHEMBL6568619

COc1ccc(CCNC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.74
▸ POLB P06746 2/20 0.64
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MAPT P10636 2/20 0.62
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ ATM Q13315 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ CA12 O43570 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ THRB P10828 1/20 0.55
▸ EPHX1 P07099 1/20 0.54

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
SCHEMBL29615207 0.85 CNR1 (1.00) CNR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL22834241 0.85 CNR1 (1.00) CNR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL6568654 0.81 CNR1 (0.60) CNR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29615111 0.79 CNR1 (0.82) CNR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL22834264 0.79 CNR1 (0.82) CNR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4351106 0.78 CNR1 (0.68) CNR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13853577 0.78 CA12 (0.69) CNR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL9781759 0.78 CA12 (0.69) CNR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL3054824 0.78 MAPK1 (0.58) CNR1POLBMEN1KMT2AMAPT
SCHEMBL9051137 0.75 CA1 (0.69) MEN1KMT2ASMN1; SMN2MAPTCA1

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
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 — — EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 — — EP claimed
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