SCHEMBL19645192

SCHEMBL19645192

CCCCCC(C)(CCCCC)CC(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL22199660 0.95 POLB (0.49) POLBHPGDPKMHTTMEN1
SCHEMBL20374788 0.94 POLB (0.46) POLBHPGDPKMHTTMEN1
SCHEMBL23119558 0.92 POLB (0.47) POLBHPGDPKMHTTMEN1
SCHEMBL20340664 0.89 POLB (0.47) POLBHPGDPKMHTTMEN1
SCHEMBL18922367 0.83 POLB (0.49) POLBHPGDPKMHTTMEN1
SCHEMBL19200801 0.83 L3MBTL1 (0.43) POLBHPGDHTTLMNASMN1; SMN2
SCHEMBL19182655 0.82 L3MBTL1 (0.48) POLBHPGDHTTLMNASMN1; SMN2
SCHEMBL19200319 0.79 TSHR (0.49) POLBHPGDHTTLMNASMN1; SMN2
SCHEMBL21713229 0.78 PKM (0.49) POLBHPGDPKMHTTMEN1
SCHEMBL2718359 0.76 L3MBTL1 (0.69) POLBHTTMEN1KMT2ALMNA

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-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed