SCHEMBL6561752

SCHEMBL6561752

CCC(O)C(=O)OC(=O)CO

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NAAA Q02083 1/20 0.34
MAPT P10636 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28658085 0.83 TSHR (0.43) TSHRNAAAALDH1A1
SCHEMBL21201472 0.83 TSHR (0.36) TSHRNAAAMAPT
SCHEMBL21197468 0.83 TSHR (0.36) TSHRNAAAMAPT
SCHEMBL8202199 0.81 OR51E2 (0.42)
SCHEMBL28658087 0.80 ALDH1A1 (0.58) TSHRNAAAMAPTALDH1A1
SCHEMBL23274462 0.78 MGAM (0.44) TSHRNAAAMGAMGAASI
SCHEMBL11459132 0.78 MGAM (0.44) TSHRMGAMGAASIMGAM2
SCHEMBL5202579 0.77
SCHEMBL1591709 0.76 TDP1 (0.36) TSHRMAPT
SCHEMBL10952591 0.76 ALDH1A1 (0.43) TSHRALDH1A1

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-0793481-B1 COSMETIC COMPOSITION CONTAINING HYDROXY ALKANOATE DERIVATIVES UNILEVER PLC (GB) 2004-06-02 EP disclosed
EP-0793481-A1 COSMETIC COMPOSITION CONTAINING HYDROXY ALKANOATE DERIVATIVES UNILEVER PLC (GB) 1997-09-10 EP disclosed
WO-1995005153-A1 COSMETIC COMPOSITION CONTAINING HYDROXY ALKANOATE DERIVATIVES UNILEVER PLC (GB) 1995-02-23 WO disclosed