SCHEMBL25797646

SCHEMBL25797646

CC(C)C12CCC(C)(c3ccccc31)C(O)C2O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ NOTUM Q6P988 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
SCHEMBL27053554 1.00 MAPT (0.31) MAPTTSHRPDK2NOTUM
SCHEMBL27053553 1.00 MAPT (0.31) MAPTTSHRPDK2NOTUM
SCHEMBL25755711 0.70 LMNA (0.44) TSHR
SCHEMBL27053559 0.70 LMNA (0.44) TSHR
SCHEMBL9418971 0.66 ALDH1A1 (0.35) NOTUM
SCHEMBL20175801 0.59 MEN1 (0.38) MAPTTSHR
SCHEMBL2999927 0.58 PDK2 (0.37) PDK2NOTUM
SCHEMBL7645480 0.58 PDK2 (0.37) PDK2NOTUM
SCHEMBL5547924 0.57 KDM1A (0.53) TSHR
SCHEMBL11945783 0.57 ALDH1A1 (0.36) PDK2NOTUM

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-4206182-A1 ESTER COMPOUND Mitsui Chemicals, Inc. (JP) 2023-07-05 — — EP disclosed
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