SCHEMBL23706751

SCHEMBL23706751

NCCN(CCN1CCNCC1)CCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR4 P61073 2/20 0.39
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
KDM1A O60341 1/20 0.31
SLC6A4 P31645 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
SCHEMBL825283 1.00 SIGMAR1 (0.41) SIGMAR1POLBSMN1; SMN2CXCR4ALOX15
SCHEMBL9064037 0.96 ALOX15 (0.44) SIGMAR1POLBSMN1; SMN2CXCR4ALOX15
SCHEMBL19731039 0.89 POLB (0.48) SIGMAR1POLBSMN1; SMN2CXCR4HSD17B10
SCHEMBL2478304 0.88 ACE2 (0.47) SIGMAR1POLBSMN1; SMN2CXCR4ALOX15
SCHEMBL20282615 0.88 SIGMAR1 (0.43) SIGMAR1POLBSMN1; SMN2CXCR4ALDH1A1
SCHEMBL19072685 0.87 POLB (0.35) SIGMAR1POLBSMN1; SMN2CXCR4ALOX15
SCHEMBL29860788 0.87 ACE2 (0.50) SIGMAR1POLBSMN1; SMN2CXCR4ALOX15
SCHEMBL15657166 0.87 ACE2 (0.50) SIGMAR1POLBSMN1; SMN2CXCR4ALOX15
Hydrochloric Acid SCHEMBL3666457 0.86 CXCR4 (0.40) SIGMAR1POLBSMN1; SMN2CXCR4ALOX15
SCHEMBL29255853 0.85 GNAO1 (0.41) SIGMAR1CXCR4

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
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