SCHEMBL28600121

SCHEMBL28600121

CCCCC(C)CCNN

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
OPRM1 P35372 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
SLC15A1 P46059 1/20 0.34
DNM1 Q05193 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL23425390 0.91 ACE2 (0.47) ALOX15OPRM1ACE2LMNADNM1
SCHEMBL18844737 0.84 OPRM1 (0.46) ALOX15CA1OPRM1ACE2LMNA
Oxalic Acid SCHEMBL11353504 0.82 ALOX15 (0.60) ALOX15CA1CA2OPRM1ACE2
SCHEMBL4317793 0.80 TSHR (0.46) CA1CA2OPRM1ACE2LMNA
SCHEMBL56652 0.79 LMNA (0.50) CA2OPRM1ACE2LMNAALDH1A1
SCHEMBL7026506 0.78 EPHX1 (0.46) CA1CA2OPRM1ACE2LMNA
SCHEMBL10596435 0.77 CA12 (0.43) ALOX15CA1CA2OPRM1ACE2
SCHEMBL27688584 0.77 ALDH1A1 (0.37) CA1CA2OPRM1ACE2LMNA
SCHEMBL2230685 0.77
SCHEMBL16843349 0.77

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
CN-108473328-B High charge density metal phosphate molecular sieves 环球油品公司 2021-12-07 CN claimed
CN-108698030-B High charge density metallosilicophosphate molecular sieves 环球油品公司 2021-06-29 CN disclosed