SCHEMBL7939260

SCHEMBL7939260

CCOC(=O)[C@@H]1OC(c2ccc(C)cc2)O[C@H]1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 5/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CAPN1 P07384 1/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL7950760 1.00 TSHR (0.55) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7709533 0.89 TSHR (0.54) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6572035 0.87 TSHR (0.73) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL2749958 0.87 TSHR (0.73) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL9083037 0.86 TSHR (0.51) TSHRALDH1A1MAPTKMT2AMEN1
SCHEMBL7939268 0.86 TSHR (0.55) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9420155 0.86 TSHR (0.55) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9420215 0.84 TSHR (0.50) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9420202 0.84 TSHR (0.50) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2210689 0.83 TSHR (0.79) TSHRALDH1A1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3159388-B2 2001-04-23 JP claimed
EP-0515622-B1 ORGANOLEPTIC COMPOSITIONS GIVAUDAN ROURE INT (CH) 1994-07-20 EP claimed
EP-0515622-A1 ORGANOLEPTIC COMPOSITIONS. GIVAUDAN ROURE INT (CH) 1992-12-02 EP claimed
WO-1992010107-A1 ORGANOLEPTIC COMPOSITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-06-25 WO claimed
US-5371069-A Organoleptic compositions GIUAUDAN-ROURE CORPORATION (US) 1994-12-06 US disclosed
EP-0515622-B1 ORGANOLEPTIC COMPOSITIONS GIVAUDAN ROURE INT (CH) 1994-07-20 EP disclosed
EP-0515622-A1 ORGANOLEPTIC COMPOSITIONS. GIVAUDAN ROURE INT (CH) 1992-12-02 EP disclosed
WO-1992010107-A1 ORGANOLEPTIC COMPOSITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-06-25 WO disclosed