SCHEMBL11664308

SCHEMBL11664308

N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.64
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ KCNH2 Q12809 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
SCHEMBL11663289 0.84 MMP2 (0.48) MMP2MAPTMAOBCYP19A1KCNH2
SCHEMBL11665358 0.81 MMP2 (0.66) MMP2ALDH1A1PKMMAPK1MAPT
Bromide SCHEMBL11663292 0.80 MMP2 (0.64) MMP2ALDH1A1PKMMAPK1MAPT
SCHEMBL14515285 0.79 MAPT (0.59) ALDH1A1PKMMAPK1MAPTKCNH2
SCHEMBL11665462 0.78 MMP2 (0.49) MMP2MAPTMAOBCYP19A1KCNH2
SCHEMBL11665460 0.78 MMP2 (0.49) MMP2MAPTMAOBCYP19A1KCNH2
SCHEMBL11662218 0.76 MEN1 (0.53) MMP2ALDH1A1PKMMAPK1MAPT
SCHEMBL11660804 0.76 PPARG (0.46) MMP2MAPTMAOBCYP19A1KCNH2
SCHEMBL4926623 0.75 MAOB (0.60) MMP2ALDH1A1MAPK1MAPTMAOB
SCHEMBL4926634 0.75 MAOB (0.60) MMP2ALDH1A1MAPK1MAPTMAOB

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
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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