SCHEMBL15468368

SCHEMBL15468368

CCCC(C)NCC(O)CC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.39
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.34
ADRB3 P13945 2/20 0.34
HTT P42858 1/20 0.34
ADRB1 P08588 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL13934087 0.83 HPGD (0.44) ADRB2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7050022 0.83 HPGD (0.44) ADRB2ALDH1A1MEN1KMT2AHPGD
SCHEMBL11702357 0.82 HPGD (0.41) ADRB2ALDH1A1MEN1KMT2AHPGD
SCHEMBL13855541 0.81 ADRB2 (0.41) ADRB2ALDH1A1MEN1KMT2AHPGD
SCHEMBL2431055 0.77 HPGD (0.34) HPGDHTTTSHRLMNAPOLB
SCHEMBL23060034 0.76 ALDH1A1 (0.39) ADRB2ALDH1A1TSHR
SCHEMBL13180029 0.76 ALDH1A1 (0.39) ADRB2ALDH1A1TSHR
SCHEMBL13999372 0.76 TSHR (0.35) ADRB2ALDH1A1TSHR
SCHEMBL16937600 0.76 ALDH1A1 (0.39) ADRB2ALDH1A1TSHR
SCHEMBL7775214 0.76 TSHR (0.35) ADRB2ALDH1A1TSHR

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-8647613-B2 Drug carrier JCR PHARMACEUTICALS CO., LTD. (JP) 2014-02-11 US disclosed