SCHEMBL5318078

SCHEMBL5318078

COC(=O)c1cc(NCCc2ccc([N+](=O)[O-])cc2)ccc1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.52
▸ MAPT P10636 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ GLA P06280 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PDE5A O76074 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
Methoxymethane SCHEMBL5318080 0.91 CCR5 (0.51) CCR5MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11929760 0.85 MAPT (0.48) CCR5MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL11937520 0.83 KDM4E (0.43) CCR5ALDH1A1CNR1
SCHEMBL10605482 0.80 RECQL (0.51) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28664810 0.77 CCR5 (0.55) CCR5MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11929758 0.75 CFD (0.56) CCR5MAPTALDH1A1LMNACNR1
SCHEMBL609284 0.74 MAPT (0.56) CCR5MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29390925 0.74 MAPT (0.56) CCR5MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7365073 0.73 MEN1 (0.60) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL609392 0.73 KDM4E (0.53) CCR5ALDH1A1CNR1

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-2007119984-A1 SALICYLIC ACID DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THEM NEUROTECH CO., LTD. (KR) 2007-10-25 — — WO disclosed
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