SCHEMBL8603367

SCHEMBL8603367

NCCN(CCN)CCNCCN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.53
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
RAD52 P43351 1/20 0.39
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CXCR4 P61073 2/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 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
SCHEMBL29860788 0.97 ACE2 (0.50) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL2478837 0.97 ACE2 (0.59) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL14980612 0.91 ACE2 (0.47) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL15657166 0.90 ACE2 (0.50) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL2478304 0.85 ACE2 (0.47) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL27212656 0.84 ACE2 (0.63) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL18427339 0.84 ACE2 (0.50) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL23812300 0.83 HSD17B10 (0.41) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL302850 0.82 ACE2 (0.72) ACE2ANPEPERAP2HSD17B10CYP3A4
SCHEMBL825283 0.82 SIGMAR1 (0.41) ANPEPERAP2HSD17B10RAD52ALOX15

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-2021153650-A1 COMPOSITION FOR CARBON DIOXIDE SEPARATION AND METHOD FOR SEPARATING CARBON DIOXIDE 東ソー株式会社 2021-08-05 WO disclosed
US-5747392-A Stain resistant, water repellant, interpenetrating polymer network coating-treated textile fabric HI-TEX, INC. (US) 1998-05-05 US disclosed