SCHEMBL25890659

SCHEMBL25890659

O=C(c1ccccc1)N(CC1CCCCC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
OPRM1 P35372 6/20 0.45
OPRD1 P41143 6/20 0.45
OPRK1 P41145 6/20 0.45
AGER Q15109 3/20 0.42
MTNR1A P48039 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL16192496 0.80 ATM (0.42) HDAC1HDAC6AGERMTNR1A
SCHEMBL16191901 0.76 ATM (0.43) NPC1LMNA
SCHEMBL5300153 0.74 HDAC1 (0.53) HDAC1HDAC6OPRM1OPRD1AGER
SCHEMBL25890660 0.73 LMNA (0.43) AGERMTNR1ALMNA
SCHEMBL14588680 0.73 KMT2A (0.45) HDAC1HDAC6
SCHEMBL7761513 0.73 HSD11B1 (0.54) HDAC1HDAC6AGERMTNR1A
SCHEMBL5305672 0.72 HDAC1 (0.51) HDAC1HDAC6AGERMTNR1A
SCHEMBL8773484 0.72 HDAC1 (0.61) HDAC1HDAC6AGERMTNR1ANPC1
SCHEMBL10289071 0.71 PKM (0.40) OPRM1OPRD1OPRK1
SCHEMBL13479803 0.71 KMT2A (0.53) NPC1RAB9ALMNA

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-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 EP disclosed