SCHEMBL9035188

SCHEMBL9035188

COc1cccc([C@H]2COC(=O)N2CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
EDNRA P25101 1/20 0.43
CHRNA7 P36544 2/20 0.42
ALOX15 P16050 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
IDH1 O75874 2/20 0.41
WDR5 P61964 1/20 0.41
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL42224 0.81 GLS (0.51) LMNAIDH1NPC1ALDH1A1HTT
SCHEMBL43071 0.81 GLS (0.51) LMNAIDH1NPC1ALDH1A1HTT
SCHEMBL1285658 0.81 GLS (0.51) LMNAIDH1NPC1ALDH1A1HTT
SCHEMBL9034901 0.79 GLS (0.41) MEN1POLBCYP3A4CYP2D6CYP2C19
SCHEMBL28466515 0.76 GLS (0.49) MEN1KMT2A
SCHEMBL9035836 0.75 HTT (0.43) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL15743848 0.73 GLS (0.49) LMNANPC1ALDH1A1HTTRAB9A
SCHEMBL15743835 0.73 GLS (0.49) LMNANPC1ALDH1A1HTTRAB9A
SCHEMBL9036013 0.72 TSHR (0.43) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3590197 0.72 HSD11B1 (0.46) CYP19A1IDH1KDM4EMEN1ALDH1A1

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-0362902-B1 Process and intermediates for beta-lactam antibiotics HARVARD COLLEGE (US) 1996-01-17 EP disclosed
EP-0209352-B1 PROCESS AND INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-05-02 EP disclosed
EP-0362902-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-04-11 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
US-4734495-A Process and intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-03-29 US disclosed
US-4665171-A CARBACEPHALOSPORINS HARVARD UNIVERSITY (US) 1987-05-12 US disclosed
EP-0209352-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-01-21 EP disclosed