SCHEMBL26908620

SCHEMBL26908620

CC(C)c1cc(C(C)C)c(C=O)cc1C=O.CC(CO)(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TYR P14679 1/20 0.36
ERN1 O75460 1/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL26908515 0.95 TYR (0.37) HSP90AA1HSP90AB1TYRERN1GAA
SCHEMBL26908522 0.83 HSP90AA1 (0.35) HSP90AA1HSP90AB1TYR
SCHEMBL29818615 0.82 TYR (0.42) HSP90AA1HSP90AB1TYRERN1ALDH1A1
SCHEMBL26908555 0.82 TYR (0.38) HSP90AA1HSP90AB1TYRALDH1A1
SCHEMBL26908613 0.82 ALDH1A1 (0.39) HSP90AA1HSP90AB1TYRALDH1A1
SCHEMBL26908610 0.77 HSP90AA1 (0.35) HSP90AA1HSP90AB1TYR
SCHEMBL22302453 0.76 TYR (0.43) HSP90AA1HSP90AB1TYRERN1ALDH1A1
SCHEMBL27223012 0.76 GRIA1 (0.40) ERN1ALDH1A1SMN1; SMN2
SCHEMBL26908505 0.74 LMNA (0.44) ERN1ALDH1A1SMN1; SMN2
SCHEMBL27223879 0.74 TDP1 (0.39) ERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 EP disclosed