SCHEMBL18569423

SCHEMBL18569423

CCCCCC(C(C)C)C(C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
ACE2 Q9BYF1 1/20 0.39
CA1 P00915 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
SLC22A1 O15245 2/20 0.35
SLC22A2 O15244 1/20 0.35
FDPS P14324 1/20 0.34

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
SCHEMBL7122697 0.86 OPRM1 (0.52) OPRM1CA1SPHK1LMNATP53
SCHEMBL22471943 0.83 OPRM1 (0.50) OPRM1ACE2SPHK1LMNATP53
SCHEMBL16779862 0.83 OPRM1 (0.50) OPRM1ACE2SPHK1LMNATP53
SCHEMBL4654330 0.77 DNM1 (0.43) OPRM1CA1LMNADNM1TSHR
SCHEMBL14778098 0.77 OPRM1 (0.44) OPRM1ACE2SPHK1LMNADNM1
SCHEMBL20921658 0.77 OPRM1 (0.35) OPRM1CA1SPHK1ADH1BADH1C
SCHEMBL2185803 0.76 OPRM1 (0.48) OPRM1ACE2CA1SPHK1LMNA
SCHEMBL1028502 0.76 OPRM1 (0.48) OPRM1ACE2CA1SPHK1LMNA
SCHEMBL25220046 0.75 SPHK1 (0.50) OPRM1ACE2SPHK1LMNATP53
SCHEMBL25350097 0.75 SPHK1 (0.50) OPRM1ACE2SPHK1LMNATP53

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-2882740-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed