SCHEMBL26148652

SCHEMBL26148652

C1CC(CSC2CCCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.32
EPHX1 P07099 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
SLC2A1 P11166 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21372157 0.97 GBA1 (0.35) GBA1EPHX1ADH1BADH1CADH1A
SCHEMBL29080637 0.89 EPHX1 (0.35) GBA1EPHX1ADH1BADH1CADH1A
SCHEMBL29080638 0.81
SCHEMBL24009122 0.80 SLC6A1 (0.33) GBA1
SCHEMBL24393336 0.73 CHRM2 (0.36) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL18899204 0.70 EPHX1 (0.31) EPHX1
SCHEMBL779637 0.69 SLC2A1 (0.34) GBA1SLC2A1
SCHEMBL8976389 0.69 EPHX1 (0.35) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL27985770 0.69 EPHX1 (0.31) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL24009077 0.69 SLC6A1 (0.35) GBA1

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-2023091957-A1 PEPTIDE CONJUGATES OF PEPTIDIC TUBULIN INHIBITORS AS THERAPEUTICS CYBREXA 4, INC. (US) 2023-05-25 WO disclosed