SCHEMBL7739340

SCHEMBL7739340

O=C(NCCC(OCOCc1ccccc1)C(=O)NO)c1ccc(/C=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TMEM97 Q5BJF2 4/20 0.41
SIGMAR1 Q99720 4/20 0.41
MAPT P10636 3/20 0.40
NLRP3 Q96P20 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CYP24A1 Q07973 1/20 0.40
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
KCNA3 P22001 1/20 0.39
HSP90AA1 P07900 2/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7739343 1.00 NPC1 (0.43) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7739596 0.95 NPC1 (0.47) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7741311 0.92 NPC1 (0.45) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7741094 0.92 NPC1 (0.45) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7740202 0.86 NPC1 (0.50) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7742516 0.81 TMEM97 (0.46) TMEM97SIGMAR1MAPTNLRP3HDAC2
SCHEMBL7742523 0.81 TMEM97 (0.46) TMEM97SIGMAR1MAPTNLRP3HDAC2
SCHEMBL7739799 0.77 ADCY6 (0.48) NPC1RAB9AMEN1KMT2AHDAC2
SCHEMBL7739803 0.77 ADCY6 (0.48) NPC1RAB9AMEN1KMT2AHDAC2
SCHEMBL7740619 0.77 ADCY6 (0.48) NPC1RAB9AMEN1KMT2AHDAC2

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 4 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
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP 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