SCHEMBL8541103

SCHEMBL8541103

O=C(C1=CC=CC[CH]1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MLYCD O95822 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2558780 0.98 HPGD (0.46) HPGDALDH1A1POLBMAPTKDM4E
SCHEMBL7259265 0.73 SLC2A1 (0.39) ALDH1A1POLB
SCHEMBL7046884 0.71
SCHEMBL10998680 0.70
SCHEMBL8562622 0.70
SCHEMBL6027613 0.69 HRH3 (0.30)
SCHEMBL5439893 0.68 HPGD (0.45) HPGDALDH1A1POLBNPC1GLA
SCHEMBL6218786 0.66 HPGD (0.46) HPGDALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL8607446 0.66 SRD5A2 (0.38) HPGDALDH1A1MAPK1TSHRRAB9A
SCHEMBL8209626 0.65 AKT1 (0.33)

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 10 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-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