SCHEMBL7410333

SCHEMBL7410333

CC(=O)Oc1ccc([C@@H]2O[C@H]2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSP90AA1 P07900 1/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
TTR P02766 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 3/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL6228156 0.84 EDNRA (0.54) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL7293698 0.84 EDNRA (0.54) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL6229779 0.84 EDNRA (0.54) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL7144597 0.84 EDNRA (0.54) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL9258771 0.84 EDNRA (0.54) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL4454157 0.84 LMNA (0.55) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL4454166 0.84 LMNA (0.55) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL4454162 0.84 LMNA (0.55) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8927247 0.83 EDNRA (0.53) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL6982352 0.83 ELANE (0.58) ELANEMAPTGAAALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988297-A2 PROCESS FOR PREPARING OPTICALLY ACTIVE PHENYLOXIRANE COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2000-03-29 EP disclosed
WO-1998056762-A2 PROCESS FOR PREPARING OPTICALLY ACTIVE PHENYLOXIRANE COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1998-12-17 WO disclosed
US-4552695-A Process for production of diltiazem hydrochloride SHIONOGI & CO., LTD. (JP) 1985-11-12 US disclosed