SCHEMBL4754585

SCHEMBL4754585

CC(=O)OC(=O)CC1CC(C(=O)O)C(C(=O)O)C1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 4/20 0.36
▸ GABRR2 P28476 1/20 0.36
▸ CA1 P00915 6/20 0.31
▸ CA2 P00918 6/20 0.31
▸ CA9 Q16790 4/20 0.31
▸ CA12 O43570 4/20 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
SCHEMBL3139342 0.80 HSD11B1 (0.32) —
SCHEMBL1260796 0.76 SLC6A12 (0.46) GABRR1GABRR2
SCHEMBL4336521 0.70 LMNA (0.33) —
Acetic Acid SCHEMBL6723787 0.69 GABRR1 (0.43) GABRR1GABRR2
SCHEMBL3139345 0.68 HSD11B1 (0.35) GABRR1GABRR2
SCHEMBL27744481 0.68 MEN1 (0.46) —
SCHEMBL14070058 0.67 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL5856801 0.67 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL5856757 0.67 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL2697233 0.66 GABRR1 (0.50) GABRR1GABRR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008153286-A2 AROMATIC DIAMINES WITH A PHOTOREACTIVE AROMATIC SIDE GROUP, POLYAMIC ACID PHOTO-ALIGNMENT LAYERS WITH THEM AND METHOD FOR PREPARING LIQUID CRYSTAL CELLS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 — — WO disclosed
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