SCHEMBL2558780

SCHEMBL2558780

O=C(C1=CC=CC[CH]1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD11B1 P28845 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 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
SCHEMBL8541103 0.98 HPGD (0.42) HPGDALDH1A1L3MBTL1NPC1GLA
SCHEMBL7259265 0.72 SLC2A1 (0.39) ALDH1A1POLBCA1CA2
SCHEMBL6027613 0.71 HRH3 (0.30)
SCHEMBL5439893 0.70 HPGD (0.45) HPGDALDH1A1NPC1GLAUSP2
SCHEMBL7046884 0.70
SCHEMBL10998680 0.69
SCHEMBL8562622 0.69
SCHEMBL8607446 0.68 SRD5A2 (0.38) HPGDALDH1A1RAB9AMEN1TSHR
SCHEMBL6218786 0.68 HPGD (0.46) HPGDALDH1A1L3MBTL1NPC1GLA
SCHEMBL5451245 0.66 MEN1 (0.42) HPGDALDH1A1NPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-0845459-A1 Azetidinone derivatives useful in the preparation of carbapenem antibiotics Sankyo Company Limited (JP) 1998-06-03 EP disclosed
US-5719275-A REACTING SILYL ENOL ETHER WITH AZETIDINONE DERIVATIVE TO FORM INTERMEDIATE FOR PENICILLIN-TYPE ANTIBIOTIC SANKYO COMPANY, LIMITED (JP) 1998-02-17 US disclosed
US-5681951-A REACTING PENICILLIN DERIVATIVE HAVING SULFINYL OR SULFONYL GROUP IN 2 POSITION WITH SUBSTITUTED MERCAPTAN IN PRESENCE OF SALT OF GROUP IIA OR IIIA ELEMENT SANKYO COMPANY, LIMITED (JP) 1997-10-28 US disclosed
US-5614624-A THIO SUBSTITUTED, ANTIBIOTICS, CHEMICAL INTERMEDIATES SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5541317-A PENICILLIN DERIVATIVES, CYCLIZATION OF ESTERS OR THIOESTERS SANKYO COMPANY, LIMITED (JP) 1996-07-30 US disclosed
EP-0516486-A2 Azetidinone derivatives useful in the preparation of carbapenem antibiotics Sankyo Company Limited (JP) 1992-12-02 EP disclosed