SCHEMBL27317688

SCHEMBL27317688

C=CC(=O)OC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SLC29A1 Q99808 2/20 0.46
▸ PSMB11 A5LHX3 1/20 0.46
▸ PSMA7 O14818 1/20 0.46
▸ PSMB1 P20618 1/20 0.46
▸ PSMA1 P25786 1/20 0.46
▸ PSMA2 P25787 1/20 0.46
▸ PSMA3 P25788 1/20 0.46
▸ PSMA4 P25789 1/20 0.46
▸ PSMB8 P28062 1/20 0.46
▸ PSMB9 P28065 1/20 0.46
▸ PSMA5 P28066 1/20 0.46
▸ PSMB4 P28070 1/20 0.46

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
SCHEMBL25311659 0.87 PKM (0.53) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL25314500 0.86 MEN1 (0.38) MEN1KMT2ASMN1; SMN2TSHRABCG2
SCHEMBL10876059 0.86 ABCG2 (0.53) MEN1KMT2ASMN1; SMN2TSHRABCG2
SCHEMBL20970601 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTTNFRSF1A
SCHEMBL8148063 0.84 MEN1 (0.61) MEN1KMT2ASMN1; SMN2TSHRABCG2
SCHEMBL17368848 0.80 TSHR (0.33) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL11832592 0.80 HTR1A (0.62) SMN1; SMN2ABCG2ALDH1A1TUBB1HTT
SCHEMBL28872919 0.80 KMT2A (0.58) MEN1KMT2AABCG2ALDH1A1POLB
SCHEMBL9311035 0.79 MEN1 (0.53) MEN1KMT2ASMN1; SMN2TSHRABCG2
SCHEMBL7123362 0.79 MEN1 (0.56) MEN1KMT2ASMN1; SMN2TSHRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1062562-C Corticosteroid 17-alkyl carbonate 21-[O]-carboxylic and carbonic esters, processes for their preparation, and pharmaceuticals containing these compounds HOECHST AG (DE) 2001-02-28 — — CN disclosed
CN-1056151-C 17-deoxycorticosteroid-21-[O]-carboxylic esters, processes for their preparation and pharmaceuticals containing these compounds HOECHST AG (DE) 2000-09-06 — — CN disclosed
CN-1051316-C Corticoid 17,21-dicarboxylic esters and corticosteroid 17-carboxylic ester 21-carbonic esters, processes for their preparation and pharmaceuticals containing these compounds HOECHST AG (DE) 2000-04-12 — — CN disclosed
CN-1124250-A 17-deoxycorticosteroid-21-[O]-carboxylic esters, processes for their preparation and pharmaceuticals containing these compounds HOECHST AG (DE) 1996-06-12 — — CN disclosed
CN-1108661-A Corticoid 17,21-dicarboxylic esters and corticosteroid 17-carboxylic ester 21-carbonic esters, processes for their preparation and pharmaceuticals containing these compounds HOECHST AG (DE) 1995-09-20 — — CN disclosed
CN-1105368-A Corticosteroid 17-alkyl carbonate 21-[O]-carboxylic and carbonic esters, processes for their preparation, and pharmaceuticals containing these compounds HOECHST AG (DE) 1995-07-19 — — CN disclosed
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