SCHEMBL11758254

SCHEMBL11758254

COC(=O)CCC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.63
▸ NPC1 O15118 5/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ CRHBP P24387 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ LMNA P02545 3/20 0.58
▸ ABCB1 P08183 2/20 0.54
▸ ABCC1 P33527 1/20 0.54
▸ CYP2C9 P11712 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ HCAR3 P49019 1/20 0.52
▸ F10 P00742 1/20 0.51
▸ CYP2C19 P33261 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL11283118 0.82 MAPT (0.60) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL6541728 0.77 SMN1; SMN2 (0.72) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL7245174 0.77 NPC1 (0.76) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL6707064 0.75 MAPT (0.77) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL1108994 0.75 MMP1 (0.70) MAPTNPC1RAB9AMAPK1KMT2A
SCHEMBL11701856 0.74 MAPT (0.47) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL10575752 0.74 MAPT (0.59) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL10575746 0.74 MAPT (0.58) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL7245504 0.73 MAPT (0.69) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL3103720 0.73 MAPT (0.58) MAPTNPC1RAB9AMAPK1SMN1; SMN2

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-4026891-A HYPOTENSIVE AGENTS, ANTITHROMBOTICS, AND CARDIOTONICS BOEHRINGER INGELHEIM GMBH (DT) 1977-05-31 — — US disclosed
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