SCHEMBL6803359

SCHEMBL6803359

CC(C)C[CH]C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.41
GLO1 Q04760 2/20 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
SCHEMBL7032670 0.90 ALOX15 (0.44) ALOX15TSHRCASP1L3MBTL1HPGD
SCHEMBL6803362 0.83 ALOX15 (0.49) ALOX15TSHRCASP1L3MBTL1HPGD
SCHEMBL7032673 0.81 ALOX15 (0.46) ALOX15TSHRCASP1L3MBTL1HPGD
SCHEMBL7240741 0.79 ALOX15 (0.44) ALOX15TSHRCASP1L3MBTL1HPGD
SCHEMBL6463431 0.76 CTSL (0.56)
SCHEMBL6807151 0.76 TP53 (0.38) HPGDSMN1; SMN2ALDH1A1
SCHEMBL6802148 0.74 NPC1 (0.57) ALOX15TSHRCASP1L3MBTL1HPGD
SCHEMBL6802848 0.73 CTSS (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL6807038 0.73 CTSS (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL7028150 0.73 CTSS (0.61) NPC1RAB9ASMN1; SMN2

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-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed