SCHEMBL10643045

SCHEMBL10643045

CC(C)(C)C(=O)OCn1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.48
ALDH1A1 P00352 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.43
FDPS P14324 2/20 0.40
GGPS1 O95749 2/20 0.39
BTN3A1 O00481 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL10656066 0.83 TBXAS1 (0.52) TBXAS1EGLN3LMNA
SCHEMBL17694460 0.81 TBXAS1 (0.57) TBXAS1
SCHEMBL7461666 0.80 ALDH1A1 (0.50) TBXAS1ALDH1A1EGLN3FDPS
SCHEMBL17694458 0.80 TBXAS1 (0.59) TBXAS1ALDH1A1LMNA
SCHEMBL28013740 0.80 ALDH1A1 (0.53) TBXAS1ALDH1A1EGLN3FDPSGGPS1
Hydrochloric Acid SCHEMBL28304957 0.79 ALDH1A1 (0.48) TBXAS1ALDH1A1EGLN3
Bromide SCHEMBL6435569 0.79 ALDH1A1 (0.48) TBXAS1ALDH1A1EGLN3FDPS
SCHEMBL4793009 0.77 ALDH1A1 (0.47) TBXAS1ALDH1A1EGLN3
SCHEMBL16314611 0.77 ALDH1A1 (0.50) TBXAS1ALDH1A1EGLN3FDPS
SCHEMBL9276891 0.76 ALDH1A1 (0.46) TBXAS1ALDH1A1EGLN3

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-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
EP-0195116-B1 COMPOUND HAVING ANTIBACTERIAL AND ANTIMYCOTIC ACTIVITIES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT ISTITUTO FARMACO BIOLOGICO RIPARI GERO S.r.l. (IT) 1988-11-17 EP claimed
EP-0195116-A2 Compound having antibacterial and antimycotic activities, preparation thereof and pharmaceutical compositions containing it ISTITUTO FARMACO BIOLOGICO RIPARI GERO S.r.l. (IT) 1986-09-24 EP claimed
EP-0195116-B1 COMPOUND HAVING ANTIBACTERIAL AND ANTIMYCOTIC ACTIVITIES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT ISTITUTO FARMACO BIOLOGICO RIPARI GERO S.r.l. (IT) 1988-11-17 EP disclosed
EP-0195116-A2 Compound having antibacterial and antimycotic activities, preparation thereof and pharmaceutical compositions containing it ISTITUTO FARMACO BIOLOGICO RIPARI GERO S.r.l. (IT) 1986-09-24 EP disclosed
US-4381307-A Soft tertiary amine esters of bio-affecting carboxylic acids MERCK & CO., INC. (US) 1983-04-26 US disclosed
EP-0051278-A1 Soft tertiary amine esters of bio-affecting carboxylic acids, processes for preparing and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1982-05-12 EP disclosed