SCHEMBL8045982

SCHEMBL8045982

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
HSP90AA1 P07900 4/20 0.34
HSP90AB1 P08238 4/20 0.34
MLYCD O95822 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8542939 0.86 MLYCD (0.40) ALDH1A1MLYCDLMNAMEN1KMT2A
SCHEMBL8542730 0.86 TP53 (0.43) HPGDALDH1A1MLYCDTDP1
SCHEMBL8546188 0.79 ALDH1A1 (0.31) HPGDALDH1A1SMN1; SMN2
SCHEMBL8562622 0.72
SCHEMBL4912716 0.71 TSHR (0.40) HPGDALDH1A1MAPTTDP1LMNA
SCHEMBL8542718 0.70 HTT (0.44) ALDH1A1RAB9ANPC1HTTKDM4E
SCHEMBL7046884 0.70
SCHEMBL10998680 0.69
SCHEMBL969859 0.68 TSHR (0.33) HPGDALDH1A1MAPTTDP1LMNA
SCHEMBL1934622 0.68 HDAC2 (0.32) HPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587436-B1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO CO (JP) 2000-05-10 EP 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-0587436-A1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0516486-A2 Azetidinone derivatives useful in the preparation of carbapenem antibiotics Sankyo Company Limited (JP) 1992-12-02 EP disclosed