SCHEMBL21160596

SCHEMBL21160596

CCCCCCCC1CCCC(O)O1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 2/20 0.42
▸ PPARG P37231 2/20 0.41
▸ SPHK2 Q9NRA0 4/20 0.38
▸ SPHK1 Q9NYA1 4/20 0.38
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ LSS P48449 2/20 0.36
▸ PTAFR P25105 1/20 0.35
▸ GBA1 P04062 2/20 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
SCHEMBL20011814 1.00 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL19935766 1.00 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL5818103 0.98 EPHX1 (0.47) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL6236280 0.89 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL19933291 0.89 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL24940224 0.89 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL18660923 0.89 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL10445292 0.89 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL20443960 0.89 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGSPHK2
SCHEMBL6423756 0.86 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2PPARGSPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023090764-A1 WALLPAPER COMPOSITION AND WALLPAPER FROM WHICH FLAVOR INGREDIENT IS RELEASED BY HEAT 주식회사 케이티앤지 2023-05-25 — — WO disclosed
EP-3255116-B1 COMPOSITIONS COMPRISING HFC-1234YF AND HFC-32 CHEMOURS CO FC LLC (US) 2019-07-10 — — EP disclosed
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