SCHEMBL10876313

SCHEMBL10876313

CC(=O)OCNC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
TGM2 P21980 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
PLAU P00749 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL11107670 0.90 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2HTTNPC1
E1501 SCHEMBL14031569 0.86 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
E1501 SCHEMBL901210 0.86 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
E1501 SCHEMBL28201296 0.86 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
E1501 SCHEMBL43745 0.86 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL3487087 0.85 LMNA (0.61) ALDH1A1LMNASMN1; SMN2HTTNPC1
SCHEMBL11085496 0.84 LMNA (0.74) ALDH1A1LMNASMN1; SMN2HTTNPC1
SCHEMBL25848262 0.84 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
E1501 SCHEMBL18954294 0.84 ALDH1A1 (0.96) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
E1501 SCHEMBL183528 0.84 ALDH1A1 (0.96) ALDH1A1LMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128718-B1 PROCESS FOR 6-(AMINOMETHYL)PENICILLANIC ACID 1,1-DIOXIDE AND DERIVATIVES THEREOF PFIZER INC. (US) 1986-12-30 EP claimed
US-4502990-A Process for 6-(aminomethyl)penicillanic acid 1,1-dioxide and derivatives thereof PFIZER INC. (US) 1985-03-05 US claimed
EP-0128718-A1 Process for 6-(aminomethyl)penicillanic acid 1,1-dioxide and derivatives thereof PFIZER INC. (US) 1984-12-19 EP claimed
EP-0128718-B1 PROCESS FOR 6-(AMINOMETHYL)PENICILLANIC ACID 1,1-DIOXIDE AND DERIVATIVES THEREOF PFIZER INC. (US) 1986-12-30 EP disclosed
EP-0128719-B1 6-(AMINOMETHYL)PENICILLANIC ACID 1,1-DIOXIDE ESTERS AND INTERMEDIATES THEREFOR PFIZER INC. (US) 1986-11-26 EP disclosed
EP-0121383-B1 BIS-ESTERS OF DICARBOXYLIC ACIDS WITH AMOXICILLIN AND CERTAIN HYDROXYMETHYLPENICILLANATE 1,1-DIOXIDES PFIZER INC. (US) 1986-05-07 EP disclosed
EP-0084925-B1 6-AMINOALKYLPENICILLANIC ACID 1,1-DIOXIDES AND DERIVATIVES AS BETA-LACTAMASE INHIBITORS PFIZER INC. (US) 1986-04-09 EP disclosed
EP-0083484-B1 1,1-ALKANEDIOL DICARBOXYLATE LINKED ANTIBACTERIAL AGENTS PFIZER INC. (US) 1986-02-19 EP disclosed
US-4536393-A 6-(Aminomethyl)penicillanic acid 1,1-dioxide esters and intermediates therefor PFIZER INC. (US) 1985-08-20 US disclosed
US-4521533-A BACTERICIDES PFIZER INC. (US) 1985-06-04 US disclosed
US-4502990-A Process for 6-(aminomethyl)penicillanic acid 1,1-dioxide and derivatives thereof PFIZER INC. (US) 1985-03-05 US disclosed
EP-0128718-A1 Process for 6-(aminomethyl)penicillanic acid 1,1-dioxide and derivatives thereof PFIZER INC. (US) 1984-12-19 EP disclosed
EP-0121383-A1 Bis-esters of dicarboxylic acids with amoxicillin and certain hydroxymethylpenicillanate 1,1-dioxides PFIZER INC. (US) 1984-10-10 EP disclosed
US-4468351-A Process for debromination of dibromopenicillanic acid and derivatives PFIZER INC. (US) 1984-08-28 US disclosed
US-4462934-A BACTERICIDES FROM PENICILLINS AND PENICILLINASE INHIBITORS PFIZER INC. (US) 1984-07-31 US disclosed
US-4457924-A PENICILLINS, OXAPENICILLINS, BETA-LACTAMASE INHIBITORS PFIZER, INC. (US) 1984-07-03 US disclosed
US-4452796-A ANTIBIOTICS PFIZER INC. (US) 1984-06-05 US disclosed
US-4427678-A 6-Aminomethylpenicillanic acid 1,1-dioxide derivatives as beta-lactamase inhibitors PFIZER INC. (US) 1984-01-24 US disclosed
EP-0084925-A1 6-Aminoalkylpenicillanic acid 1,1-dioxides and derivatives as beta-lactamase inhibitors PFIZER INC. (US) 1983-08-03 EP disclosed
EP-0083484-A1 1,1-Alkanediol dicarboxylate linked antibacterial agents PFIZER INC. (US) 1983-07-13 EP disclosed