SCHEMBL7429925

SCHEMBL7429925

C=CCOC(=O)Cc1ccccc1OC1NC(=O)C1(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ PKM P14618 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TBXAS1 P24557 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL7428862 0.84 ALDH1A1 (0.44) MEN1KMT2AGAAMAPK1TSHR
SCHEMBL7406499 0.84 ALDH1A1 (0.44) MEN1KMT2AGAAMAPK1TSHR
SCHEMBL7429790 0.82 CXCL8 (0.42) —
SCHEMBL7429922 0.81 MEN1 (0.38) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL9580715 0.77 TSHR (0.41) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL7372514 0.74 DDB1 (0.48) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6032361 0.74 L3MBTL1 (0.47) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL31290664 0.72 CYP3A4 (0.50) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL28030373 0.71 CYP3A4 (0.56) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL11648424 0.69 SMN1; SMN2 (0.45) MEN1KMT2ANPSR1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229381-A Inhibitors of leukocyte enzyme elastase MERCK & CO., INC. (US) 1993-07-20 — — US disclosed
EP-0481671-A1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1992-04-22 — — EP disclosed
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