SCHEMBL23913114

SCHEMBL23913114

CC(C)(C1CCC(OCCC2CO2)CC1)C1CCC(OCC2CO2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 4/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 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
SCHEMBL22540521 1.00 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL22540508 1.00 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL23913091 0.94 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL50372 0.90 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL26498502 0.90 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL17083647 0.90 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL12957809 0.90 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL23913123 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24322288 0.86 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL22540509 0.85 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