SCHEMBL25636409

SCHEMBL25636409

CCCSCc1ccc(CSCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
IDO1 P14902 2/20 0.38
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 2/20 0.35
TYR P14679 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL25636457 0.94 BCHE (0.39) RECQLIDO1CYP2C19ALDH1A1GAA
SCHEMBL12432133 0.93 IDO1 (0.41) RECQLIDO1CYP2C19ALDH1A1GAA
SCHEMBL20734753 0.87 IDO1 (0.39) RECQLIDO1CYP2C19ALDH1A1GAA
SCHEMBL13870175 0.84 RECQL (0.53) RECQLIDO1ALDH1A1GAALMNA
SCHEMBL13799444 0.82 MEN1 (0.50) IDO1CYP2C19ALDH1A1CYP1A2CYP2D6
SCHEMBL27820046 0.82 ESR1 (0.45) IDO1CYP2C19ALDH1A1GAACYP3A4
SCHEMBL693168 0.81 CYP2C19 (0.55) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20806989 0.80 BCHE (0.44) IDO1BCHEACHE
SCHEMBL13778145 0.79 BCHE (0.42) ALDH1A1LMNATYRBCHEACHE
SCHEMBL12337765 0.78 IDO1 (0.48) RECQLIDO1ALDH1A1GAACYP1A2

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-2023107674-A2 STAPLED PEPTIDE-ANTIBODY CONJUGATES (SPACS) AND USES THEREOF LYTICA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed