SCHEMBL9052248

SCHEMBL9052248

CCCCC[C@@H]1COC(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 3/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HLCS P50747 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
S1PR2 O95136 2/20 0.36
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
PRKCA P17252 1/20 0.33

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
SCHEMBL8443031 1.00 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL5518415 1.00 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL13082563 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL2780724 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL6036825 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL10337476 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL474085 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL1439579 0.86
SCHEMBL2365737 0.86
SCHEMBL1439581 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362902-B1 Process and intermediates for beta-lactam antibiotics HARVARD COLLEGE (US) 1996-01-17 EP disclosed
US-5091525-A 7beta- 2'-(R)-2'-(p-hydroxyphenyl-2'-amino-acetamido!-3-chloro -3-(1-carbadethiacephem)-4-carboxylic acid ELI LILLY AND COMPANY (US) 1992-02-25 US disclosed
EP-0209352-B1 PROCESS AND INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-05-02 EP disclosed
US-4870169-A Intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-26 US disclosed
US-4775752-A Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-10-04 US disclosed