Sugi Predict

Sugi Predict / Compounds / SCHEMBL6989842

SCHEMBL6989842

SCHEMBL6989842

CCOC(=O)c1ccc(CC[C@H](O)CO)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2653708 0.86 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL2653869 0.82 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL2654190 0.81 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6990853 0.80 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6990850 0.80 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6990488 0.80 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6990485 0.80 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL2653067 0.80 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL2653117 0.79 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6989769 0.79 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846111-B1 SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES AGOURON PHARMA (US) 2003-08-27 — — EP claimed
US-5981748-A Synthesis of optically pure compounds useful as GARFT inhibitors and their intermediates AGOURON PHARMACEUTICALS, INC. (US) 1999-11-09 — — US claimed
US-5831100-A Syntheses of optically pure compounds useful as GARFT inhibitors and their intermediates AGOURON PHARMACEUTICALS, INC. (US) 1998-11-03 — — US claimed
EP-0846111-A1 SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES AGOURON PHARMACEUTICALS, INC. (US) 1998-06-10 — — EP claimed
WO-1996040674-A1 SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES AGOURON PHARMACEUTICALS, INC. (US) 1996-12-19 — — WO claimed
EP-0846111-B1 SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES AGOURON PHARMA (US) 2003-08-27 — — EP disclosed
US-5981748-A Synthesis of optically pure compounds useful as GARFT inhibitors and their intermediates AGOURON PHARMACEUTICALS, INC. (US) 1999-11-09 — — US disclosed
US-5831100-A Syntheses of optically pure compounds useful as GARFT inhibitors and their intermediates AGOURON PHARMACEUTICALS, INC. (US) 1998-11-03 — — US disclosed
EP-0846111-A1 SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES AGOURON PHARMACEUTICALS, INC. (US) 1998-06-10 — — EP disclosed
WO-1996040674-A1 SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES AGOURON PHARMACEUTICALS, INC. (US) 1996-12-19 — — WO disclosed