SCHEMBL29993031

SCHEMBL29993031

CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)COC1OC(CO)C(O)C(O)C1O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 1/20 0.45
▸ HSD11B1 P28845 2/20 0.44
▸ F3 P13726 8/20 0.42
▸ XDH P47989 2/20 0.40
▸ ACHE P22303 1/20 0.38
▸ SYNJ2 O15056 1/20 0.36

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
SCHEMBL527086 1.00 SELP (0.45) SELPHSD11B1F3XDHACHE
SCHEMBL29993378 0.85 SELP (0.44) SELPHSD11B1XDHACHESYNJ2
SCHEMBL13401529 0.84 SELP (0.66) SELPHSD11B1XDHACHE
SCHEMBL30723000 0.84 HSD11B1 (0.62) SELPHSD11B1F3XDHACHE
SCHEMBL29440878 0.81 HSD11B1 (0.59) SELPHSD11B1XDHACHESYNJ2
SCHEMBL24834680 0.78 HSD11B1 (0.67) HSD11B1
SCHEMBL30493295 0.76 HSD11B1 (0.58) SELPHSD11B1XDHACHE
SCHEMBL29351883 0.74 SELP (0.48) SELPHSD11B1F3SYNJ2
SCHEMBL31447869 0.67 SELP (0.47) SELPHSD11B1F3SYNJ2
SCHEMBL31246270 0.67 SELP (0.35) SELPXDHACHESYNJ2

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
WO-2022221250-A1 NOVEL COMPOSITIONS FOR TASTE MASKING INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-10-20 — — WO disclosed
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