SCHEMBL9127779

SCHEMBL9127779

CONC(=O)N1CCCC1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
EPHX2 P34913 1/20 0.43
TSHR P16473 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL20837322 0.82 ALDH1A1 (0.49) ALDH1A1HPGDGAAEPHX2TSHR
SCHEMBL2681321 0.80 TSHR (0.57) ALDH1A1HPGDGAAEPHX2TSHR
SCHEMBL1778423 0.80 TSHR (0.57) ALDH1A1HPGDGAAEPHX2TSHR
SCHEMBL7478058 0.80 ALDH1A1 (0.50) ALDH1A1HPGDGAAEPHX2TSHR
SCHEMBL10202112 0.80 TSHR (0.57) ALDH1A1HPGDGAAEPHX2TSHR
SCHEMBL14930583 0.80 ALDH1A1 (0.50) ALDH1A1HPGDGAAEPHX2TSHR
SCHEMBL10202307 0.80 ALDH1A1 (0.50) ALDH1A1HPGDGAAEPHX2TSHR
SCHEMBL14291922 0.78 ALDH1A1 (0.50) ALDH1A1HPGDGAAEPHX2TSHR
Hydrochloric Acid SCHEMBL2057759 0.78 TSHR (0.55) ALDH1A1HPGDGAAEPHX2TSHR
SCHEMBL22541537 0.77 DPP4 (0.38) HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453504-A Useful for synthesis of beta lactam antibiotics ELI LILLY AND COMPANY (US) 1995-09-26 US disclosed
US-5391728-A Bicyclic B-lactams intermediates having a new amino protecting group ELI LILLY AND COMPANY (US) 1995-02-21 US disclosed
US-5283329-A Amino protecting group ELI LILLY AND COMPANY (US) 1994-02-01 US disclosed
US-5239069-A Amino protecting group ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
US-5169945-A Amino protecting group ELI LILLY AND COMPANY (US) 1992-12-08 US disclosed
EP-0457512-A2 New amino protecting group ELI LILLY AND COMPANY (US) 1991-11-21 EP disclosed