SCHEMBL9435536

SCHEMBL9435536

CC(OC(=O)C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
SLC7A5 Q01650 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL731592 0.81 TSHR (0.38) TP53CYP1A2GAACYP2C9PKM
Acetic Acid SCHEMBL8512781 0.79 TSHR (0.36) TP53CYP1A2GAACYP2C9PKM
SCHEMBL21194066 0.79 TSHR (0.36) TP53CYP1A2GAACYP2C9PKM
SCHEMBL526912 0.77 TSHR (0.45) TP53CYP1A2GAACYP2C9PKM
SCHEMBL9842552 0.77 TSHR (0.45) TP53CYP1A2GAACYP2C9PKM
SCHEMBL890983 0.77
SCHEMBL21173640 0.77 TP53 (0.42) TP53CYP1A2GAACYP2C9PKM
SCHEMBL13911750 0.77
SCHEMBL1778617 0.77
Ammonia Solution, Strong SCHEMBL18138980 0.75 TSHR (0.43) TP53TDP1TSHRSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237611-A1 BINDER COMPOSITIONS OrganoClick AB (SE) 2023-09-06 EP disclosed
US-20230139056-A1 METHODS, COMPOSITIONS AND REAGENTS FOR PREPARING COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2023-05-04 US disclosed
WO-2022139670-A1 BINDER COMPOSITIONS ORGANOCLICK AB (SE) 2022-06-30 WO disclosed
US-20140158942-A1 WATER-GAS SHIFT CATALYST JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2014-06-12 US disclosed
WO-2012168690-A1 WATER-GAS SHIFT CATALYST JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-12-13 WO disclosed
EP-0375658-B1 Quinoline derivatives and processes for preparation thereof DAINIPPON PHARMACEUTICAL CO (JP) 1994-08-03 EP disclosed
EP-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0375658-A1 Quinoline derivatives and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1990-06-27 EP disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP disclosed
EP-0221463-A2 Quinoline derivatives and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1987-05-13 EP disclosed