SCHEMBL3086841

SCHEMBL3086841

C/C=C(\N)CC(C)CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
SLC15A1 P46059 1/20 0.36
OPRM1 P35372 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
TP53 P04637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
TSHR P16473 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL4211632 0.79 ACE2 (0.41) CA1CA2SLC15A1ACE2
SCHEMBL4211630 0.79 ACE2 (0.41) CA1CA2SLC15A1ACE2
SCHEMBL4211627 0.79 ACE2 (0.41) CA1CA2SLC15A1ACE2
SCHEMBL21097441 0.77
SCHEMBL27699661 0.77
SCHEMBL27699660 0.77
SCHEMBL27680540 0.77
SCHEMBL31278193 0.76 CA2 (0.48) CA1CA2SLC15A1ACE2TP53
SCHEMBL13038451 0.76 CA2 (0.48) CA1CA2SLC15A1ACE2TP53
SCHEMBL19456041 0.76 CA2 (0.39) CA1CA2SLC15A1OPRM1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020139618-A1 IMMUNE MODULATORY COMBINATIONS AND METHODS FOR TREATING CANCERS BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2020-07-02 WO disclosed
US-20120000642-A1 STEAM DRIVEN DIRECT CONTACT STEAM GENERATION EX-TAR TECHNOLOGIES (CA) 2012-01-05 US disclosed