SCHEMBL9795239

SCHEMBL9795239

CCN(CC)CCNC(=O)C1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
STAT3 P40763 1/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
HSD11B1 P28845 1/20 0.36
BCHE P06276 3/20 0.36
NAAA Q02083 1/20 0.35
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 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
Fumaric Acid SCHEMBL9795509 0.93 POLB (0.43) POLBTSHRLMNAKMT2ASIGMAR1
SCHEMBL9795256 0.86 HSD11B1 (0.45) POLBTSHRLMNAKMT2ATP53
SCHEMBL9795202 0.82 KMT2A (0.39) POLBTSHRLMNAKMT2ASIGMAR1
SCHEMBL9795115 0.81 TSHR (0.52) POLBTSHRLMNAKMT2ASIGMAR1
SCHEMBL9498011 0.81 KMT2A (0.49) POLBTSHRLMNAKMT2ASIGMAR1
SCHEMBL9129841 0.80 LMNA (0.36) TSHRLMNAKMT2ABCHENAAA
Fumaric Acid SCHEMBL9795302 0.80 HSD11B1 (0.40) POLBTSHRLMNAKMT2ATP53
SCHEMBL9127574 0.79 KMT2A (0.34) TSHRKMT2ABCHENAAAGFER
SCHEMBL9129520 0.78 NAAA (0.38) TSHRLMNAKMT2ABCHENAAA
SCHEMBL9795281 0.77 TSHR (0.57) POLBTSHRLMNAKMT2ASIGMAR1

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
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed