SCHEMBL29535664

SCHEMBL29535664

O=C(NCc1ccc(O)c(O)c1)c1ccc(O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.62
ALPL P05186 1/20 0.62
ERCC1 P07992 7/20 0.59
ERCC4 Q92889 7/20 0.59
ALDH1A1 P00352 1/20 0.56
GFER P55789 1/20 0.56
ALPG P10696 1/20 0.52
POLA1 P09884 1/20 0.52
PIM1 P11309 1/20 0.51
ESR1 P03372 1/20 0.49
SHBG P04278 1/20 0.49
ESR2 Q92731 1/20 0.49
MT-CO2 P00403 1/20 0.48
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL898314 1.00 ALOX15 (0.62) ALOX15ALPLERCC1ERCC4ALDH1A1
SCHEMBL1529028 0.93 ALOX15 (0.55) ALOX15ALPLERCC1ERCC4ALDH1A1
SCHEMBL28306080 0.85 ALOX15 (0.67) ALOX15ALPLALDH1A1GFER
SCHEMBL29085521 0.83 ALPL (0.49) ALOX15ALPLALDH1A1
SCHEMBL898313 0.83 PTPN7 (0.54) ALOX15ALDH1A1
SCHEMBL5065588 0.83 TRPV1 (0.59) ALOX15ALPLALDH1A1TRPV1
SCHEMBL2267873 0.83 HSP90AA1 (0.64) ALDH1A1GFER
SCHEMBL899105 0.82 PTPN7 (0.53) ALOX15ALDH1A1
SCHEMBL899104 0.82 PTPN7 (0.53) ALOX15ALDH1A1
SCHEMBL23796256 0.81 ERCC1 (0.63) ALPLERCC1ERCC4ALPGPIM1

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
CN-108366597-B Substance mixture 西姆莱斯有限公司 2022-09-02 CN claimed
EP-3689324-B1 NEW COOLING AGENTS AND PREPARATIONS COMPRISING THEM SYMRISE AG (DE) 2024-11-20 EP disclosed
CN-118984825-A Novel cooling agent and preparation containing same 西姆莱斯股份公司 2024-11-19 CN disclosed
EP-4452941-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-10-30 EP disclosed
EP-4247791-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2023-09-27 EP disclosed
CN-116685575-A Novel cooling substances and formulations containing these cooling substances 西姆莱斯股份公司 2023-09-01 CN disclosed
EP-4103575-A1 ALLULOSE IN CRYSTALLINE FORM Savanna Ingredients GmbH (DE) 2022-12-21 EP disclosed
CN-108366597-B Substance mixture 西姆莱斯有限公司 2022-09-02 CN disclosed
WO-2022106452-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2022-05-27 WO disclosed
CN-109310130-B Cooling substance mixture 西姆莱斯股份公司 2022-05-17 CN disclosed