SCHEMBL23913102

SCHEMBL23913102

CCO[C@H]1CC[C@@H](C(C)(C)C2CCCC(OCC3CO3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL22540509 0.94 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL15683202 0.94 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL17083532 0.89 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL26498502 0.89 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL17083647 0.89 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL50372 0.89 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL12957809 0.89 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL23913091 0.87 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL12190040 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16977288 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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-3722368-B1 NITRIDE CERAMIC RESIN COMPOSITE BODY DENKA COMPANY LTD (JP) 2021-10-13 EP disclosed