SCHEMBL11228141

SCHEMBL11228141

NCC(O)COC1CCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 1/20 0.55
IDO1 P14902 4/20 0.55
ALDH1A1 P00352 4/20 0.53
GPR84 Q9NQS5 1/20 0.44
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRB3 P13945 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.40
FFAR1 O14842 1/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8904905 0.87 KMT2A (0.53) KMT2AMEN1GAAIDO1ALDH1A1
SCHEMBL11398722 0.81 IDO1 (0.52) KMT2AMEN1GAAIDO1ALDH1A1
SCHEMBL6689946 0.81 IDO1 (0.67) KMT2AMEN1GAAIDO1ALDH1A1
SCHEMBL21071801 0.79 GAA (0.67) KMT2AMEN1GAAALDH1A1CYP1A2
SCHEMBL21071450 0.79 GAA (0.67) KMT2AMEN1GAAALDH1A1CYP1A2
SCHEMBL21071617 0.79 GAA (0.67) KMT2AMEN1GAAALDH1A1CYP1A2
SCHEMBL21071615 0.79 GAA (0.67) KMT2AMEN1GAAALDH1A1CYP1A2
SCHEMBL21071669 0.79 GAA (0.67) KMT2AMEN1GAAALDH1A1CYP1A2
SCHEMBL21071449 0.79 GAA (0.67) KMT2AMEN1GAAALDH1A1CYP1A2
SCHEMBL19852510 0.79 GAA (0.67) KMT2AMEN1GAAALDH1A1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US disclosed
EP-0003664-B1 ALKANOLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-02-17 EP disclosed
US-4275058-A 1-(7-METHYLINDAN-4-YLOXY)-3-ISOPROPYLAMINOBUTAN-2-OL IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-06-23 US disclosed
EP-0003664-A1 Alkanolamine derivatives, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 US disclosed