SCHEMBL27237671

SCHEMBL27237671

COC(=O)C(C)=C(OCCO)OCCO

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.35
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 1/20 0.31
TGFBR1 P36897 1/20 0.31
TET2 Q6N021 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL27881165 0.88 MEN1 (0.41) ACHEALDH1A1TSHRMAPT
SCHEMBL868906 0.83 ACHE (0.37) ACHEALDH1A1TSHRMGAMGAA
SCHEMBL1630557 0.77 TSHR (0.38) ACHEALDH1A1TSHR
SCHEMBL2515351 0.77 ACHE (0.36) ACHEALDH1A1TSHRMGAMGAA
SCHEMBL2548692 0.77 ACHE (0.42) ACHEALDH1A1TSHRMGAMGAA
SCHEMBL2802719 0.72 ACHE (0.36) ACHEALDH1A1TSHR
SCHEMBL284254 0.72 ALDH1A1 (0.62) ACHEALDH1A1TSHRMGAMGAA
SCHEMBL28915905 0.72 ACHE (0.36) ACHEALDH1A1TSHRMGAMGAA
SCHEMBL10714186 0.72 ALDH1A1 (0.62) ACHEALDH1A1TSHRMGAMGAA
SCHEMBL29056433 0.72 ACHE (0.45) ACHEALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076916-B1 WETTABLE SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2024-06-12 EP claimed