SCHEMBL7739381

SCHEMBL7739381

CCOCOCC(CC(Cc1cccc(OC)c1)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
FFAR1 O14842 1/20 0.40
HDAC1 Q13547 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HTT P42858 1/20 0.38
ANPEP P15144 1/20 0.38
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 1/20 0.37
CSNK2A2 P19784 1/20 0.37

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
SCHEMBL7739385 1.00 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL7734789 0.89 HDAC1 (0.42) ALDH1A1KMT2AMEN1HDAC1TAS1R3
SCHEMBL7741049 0.89 MEN1 (0.46) ALDH1A1KMT2AMEN1HDAC1TAS1R3
SCHEMBL7734784 0.89 HDAC1 (0.42) ALDH1A1KMT2AMEN1HDAC1TAS1R3
SCHEMBL7741044 0.89 MEN1 (0.46) ALDH1A1KMT2AMEN1HDAC1TAS1R3
SCHEMBL7734868 0.89 NPC1 (0.53) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL7734865 0.89 NPC1 (0.53) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL7742522 0.89 HDAC1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7742518 0.89 HDAC1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7740456 0.88 MMP2 (0.46) ALDH1A1MAPTNPC1RAB9ATP53

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