SCHEMBL7439248

SCHEMBL7439248

CC(C)(C)OC(=O)N(C[C]=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
F2 P00734 3/20 0.41
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKT1 P31749 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 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
SCHEMBL23113822 0.86 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8711286 0.86 MIF (0.35) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL9222980 0.85 KCNQ4 (0.41) MEN1KMT2AHDAC1
SCHEMBL8943826 0.84 ALDH1A1 (0.40) CYP3A4ALDH1A1TSHRF2HDAC3
SCHEMBL8710639 0.84 TSHR (0.39) SMN1; SMN2ALDH1A1TSHRTP53L3MBTL1
SCHEMBL7437218 0.83 MEN1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1F2
SCHEMBL8943566 0.83 ALDH1A1 (0.42) KMT2ASMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL17137790 0.82 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL572741 0.82 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL11162246 0.82 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US claimed
US-4401660-A TYLOSINS; VETERINARY MEDICINE; PASTEURELLA; ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1983-08-30 US claimed
EP-0542525-B1 Antithrombotic agents LILLY CO ELI (US) 1998-07-08 EP disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
US-5532353-A Process for the preparation of halogenated β-lactam compounds BIOCHIMICA OPOS SPA (IT) 1996-07-02 US disclosed
EP-0685489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
EP-0570058-A2 Process for the preparation of halogenated beta-lactam compounds BIOCHIMICA OPOS SPA (IT) 1993-11-18 EP disclosed
US-5252566-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-10-12 US disclosed
US-5250660-A Peptide purification process ELI LILLY AND COMPANY (US) 1993-10-05 US disclosed
EP-0542525-A2 Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-05-19 EP disclosed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 EP disclosed
US-4385176-A RING EXPANSION USING A LEWIS ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed