SCHEMBL3728852

SCHEMBL3728852

[NH]C(=O)C(O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
MAPK1 P28482 1/20 0.65
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
HPGD P15428 1/20 0.52
SRC P12931 2/20 0.48
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL4849143 1.00 LMNA (0.65) LMNAMAPK1CES2CES1HPGD
SCHEMBL4850637 1.00 LMNA (0.65) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL165161 0.79 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL21647917 0.79 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL5313046 0.79 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
SCHEMBL8936450 0.79 LMNA (0.71) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL29777368 0.79 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL255601 0.79 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL1050 0.79 LMNA (1.00) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL3644 0.78 LMNA (0.86) LMNAMAPK1CES2CES1HPGD

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 232 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
US-4563450-A CEPHALOSPORINS, MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US claimed
EP-0033965-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-05-15 EP claimed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
EP-0033965-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-19 EP claimed
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 US claimed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
EP-1319642-B1 Method of Preparing a Halogenated Compound OTSUKA KAGAKU KK (JP) 2008-03-26 EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
EP-1132391-B1 PROCESS FOR THE PREPARATION OF 3-SULFONYLOXY-3-CEPHEM COMPOUNDS OTSUKA KAGAKU KK (JP) 2006-11-15 EP disclosed
EP-1447406-B1 3-Cephem derivative crystal OTSUKA KAGAKU KK (JP) 2006-08-09 EP disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-4041162-A ANTIBIOTICS, BACTERICIDES SMITHKLINE CORPORATION (US) 1977-08-09 US disclosed
US-4034092-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-07-05 US disclosed
US-4025626-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-05-24 US disclosed
US-3994885-A WITH ALKALI METAL ALKOXIDE, HALOGENATION ELI LILLY AND COMPANY (US) 1976-11-30 US disclosed
US-3985739-A 3-Heterocyclic thiomethylcephalosporins SMITHKLINE CORPORATION (US) 1976-10-12 US disclosed
US-3976546-A HYDROLYSIS, ESTERASE GLAXO LABORATORIES LIMITED (EN) 1976-08-24 US disclosed
US-3855213-A 3-HETEROCYCLIC THIOMETHYL-CEPHALOSPORINS SMITHKLINE BECKMAN CORPORATION 1974-12-17 US disclosed