SCHEMBL7740164

SCHEMBL7740164

CC(CC(COCOCc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP1 P03956 1/20 0.38
FCER2 P06734 1/20 0.38
BACE1 P56817 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7740168 1.00 CRHBP (0.43) CRHBPCRHR2NPC1RAB9ATP53
SCHEMBL7739823 0.88 ADRB2 (0.37) CRHBPCRHR2SMN1; SMN2GAAMAPT
SCHEMBL7739829 0.88 ADRB2 (0.37) CRHBPCRHR2SMN1; SMN2GAAMAPT
SCHEMBL6300644 0.85 MAPT (0.36) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL6300649 0.84 ADRB2 (0.35) CRHBPCRHR2SMN1; SMN2MAPTALDH1A1
SCHEMBL6300641 0.84 ADRB2 (0.35) CRHBPCRHR2SMN1; SMN2MAPTALDH1A1
SCHEMBL6299531 0.82 CRHBP (0.41) CRHBPCRHR2NPC1RAB9ATP53
SCHEMBL6299527 0.80 CRHBP (0.41) CRHBPCRHR2NPC1RAB9ATP53
SCHEMBL6299536 0.80 CRHBP (0.41) CRHBPCRHR2NPC1RAB9ATP53
SCHEMBL7742502 0.80 CRHBP (0.42) CRHBPCRHR2SMN1; SMN2MMP1ALDH1A1

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