SCHEMBL7739829

SCHEMBL7739829

CCOCOC[C@H](C[C@H](C)C(=O)NO)N(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7739823 1.00 ADRB2 (0.37) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL6300644 0.90 MAPT (0.36) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL7740314 0.89 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL7740317 0.89 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL7740168 0.88 CRHBP (0.43) ALDH1A1SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL7740164 0.88 CRHBP (0.43) ALDH1A1SMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL6300649 0.88 ADRB2 (0.35) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL6300641 0.88 ADRB2 (0.35) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL7742592 0.87 NPC1 (0.36) ALDH1A1
SCHEMBL7742596 0.87 NPC1 (0.36) ALDH1A1

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