SCHEMBL7741129

SCHEMBL7741129

COc1ccc(-c2ccc(C(=O)NCCCC(=O)O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 1/20 0.60
HPGD P15428 1/20 0.60
PDE4B Q07343 1/20 0.57
POLB P06746 2/20 0.56
SIGMAR1 Q99720 1/20 0.55
FOLH1 Q04609 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
PPARG P37231 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL2678159 0.96 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL5654526 0.90 NPC1 (0.82) NPC1RAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL1233294 0.90 NPC1 (0.82) NPC1RAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL9951168 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL3197432 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL7740489 0.86 HDAC6 (0.72) NPC1RAB9ASMN1; SMN2HPGDHDAC6
SCHEMBL8124768 0.84 PPARG (0.60) SMN1; SMN2MAPK1HPGDCA1CA2
SCHEMBL13356507 0.84 NPC1 (0.77) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL11529762 0.83 PPARG (0.72) NPC1RAB9ASMN1; SMN2MAPK1CA1
SCHEMBL11755990 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed