SCHEMBL7742516

SCHEMBL7742516

O=C(NCCC(Cc1ccccc1)C(=O)NO)c1ccc(/C=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
CYP24A1 Q07973 1/20 0.46
PPARG P37231 2/20 0.46
EPHX2 P34913 1/20 0.46
MAPT P10636 1/20 0.46
NLRP3 Q96P20 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC2 Q92769 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
HDAC1 Q13547 2/20 0.44
LMNA P02545 1/20 0.43
NOS2 P35228 1/20 0.43
HDAC3 O15379 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7742523 1.00 TMEM97 (0.46) TMEM97SIGMAR1CYP24A1PPARGEPHX2
SCHEMBL7742513 0.89 TMEM97 (0.46) TMEM97SIGMAR1PPARGEPHX2HDAC8
SCHEMBL7739343 0.81 NPC1 (0.43) TMEM97SIGMAR1CYP24A1MAPTNLRP3
SCHEMBL7739340 0.81 NPC1 (0.43) TMEM97SIGMAR1CYP24A1MAPTNLRP3
SCHEMBL7742604 0.81 PPARG (0.56) PPARGEPHX2HDAC8HDAC6HDAC2
SCHEMBL7741311 0.76 NPC1 (0.45) TMEM97SIGMAR1CYP24A1PPARGMAPT
SCHEMBL7741094 0.76 NPC1 (0.45) TMEM97SIGMAR1CYP24A1PPARGMAPT
SCHEMBL7739596 0.74 NPC1 (0.47) TMEM97SIGMAR1EPHX2MAPTHDAC8
SCHEMBL7741169 0.74 MAPK14 (0.61) PPARGEPHX2HDAC8HDAC6HDAC2
SCHEMBL7741063 0.74 NOS2 (0.44) PPARGHDAC8HDAC6HDAC2HDAC1

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