SCHEMBL8101940

SCHEMBL8101940

CCC(CC)N(O)C(=O)Nc1ccc(NC(=O)N(O)C(CC)CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8103580 0.92 NPY5R (0.56) NPY5RNPC1RAB9ASMN1; SMN2GAA
SCHEMBL8109468 0.92 SAE1 (0.44) NPY5RTSHRMEN1KMT2APOLB
SCHEMBL7609572 0.92 RAB9A (0.53) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL1573640 0.91 MEN1 (0.54) NPY5RTSHRMEN1KMT2ANPSR1
SCHEMBL7612777 0.89 SLC1A3 (0.49) NPY5RMEN1KMT2ANPC1TP53
SCHEMBL7609578 0.89 NOX1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7613037 0.86 NPY5R (0.65) NPY5RNPC1RAB9ASMN1; SMN2
SCHEMBL7611231 0.86 GAA (0.64) MEN1KMT2ANPSR1NPC1POLB
SCHEMBL7615446 0.86 SLC1A3 (0.51) NPY5RMEN1KMT2ANPSR1CA1
SCHEMBL7615411 0.86 SMN1; SMN2 (0.61) NPY5RMEN1KMT2ANPSR1NPC1

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
US-6121323-A LIPOXYGENASE INHIBITOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-09-19 US disclosed
WO-1999028291-A1 BISHYDROXYUREAS AS INHIBITORS OF THE 5-LIPOXYGENASE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-10 WO disclosed