SCHEMBL471502

SCHEMBL471502

O=C(NC1CCCCCCCC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
EPHX1 P07099 5/20 0.54
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
EPHX2 P34913 2/20 0.51
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
FAAH O00519 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL16248428 1.00 KMT2A (0.54) KMT2AEPHX1ALDH1A1RAB9AEPHX2
SCHEMBL13555726 1.00 KMT2A (0.54) KMT2AEPHX1ALDH1A1RAB9AEPHX2
SCHEMBL15705238 1.00 KMT2A (0.54) KMT2AEPHX1ALDH1A1RAB9AEPHX2
SCHEMBL12598575 1.00 KMT2A (0.54) KMT2AEPHX1ALDH1A1RAB9AEPHX2
SCHEMBL13555711 1.00 KMT2A (0.54) KMT2AEPHX1ALDH1A1RAB9AEPHX2
SCHEMBL13020974 1.00 KMT2A (0.54) KMT2AEPHX1ALDH1A1RAB9AEPHX2
SCHEMBL10230770 1.00 KMT2A (0.54) KMT2AEPHX1ALDH1A1RAB9AEPHX2
SCHEMBL23841210 0.99 KMT2A (0.56) KMT2AEPHX1ALDH1A1RAB9AEPHX2
SCHEMBL1256624 0.93 KMT2A (0.58) KMT2AEPHX1ALDH1A1EPHX2
Formic Acid SCHEMBL27818200 0.91 KMT2A (0.51) KMT2AEPHX1ALDH1A1RAB9AEPHX2

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-2399931-A1 New octapeptide compounds and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2011-12-28 EP disclosed