SCHEMBL8905978

SCHEMBL8905978

CCc1ccc2c(c1)Sc1cc(CC)ccc1N2CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 1/20 0.39
TRPA1 O75762 1/20 0.36
KDM1A O60341 3/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
HSP90AA1 P07900 2/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
KIF11 P52732 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
SCHEMBL13067104 0.92 CYP2D6 (0.53) CYP2D6ALDH1A1KDM4EKDM1ACYP1A2
SCHEMBL19071936 0.82 NOX1 (0.47) CYP2D6TRPA1CYP1A2CYP2A6MAPT
SCHEMBL8712586 0.79 KDM1A (0.46) CYP2D6ALDH1A1KDM4EKDM1ACYP1A2
SCHEMBL8715308 0.79 PTGS1 (0.46) CYP2D6ALDH1A1KDM4EKDM1ACYP1A2
SCHEMBL13212473 0.78 MAPT (0.48) ALDH1A1KDM4EGAAKDM1AMAPT
SCHEMBL17356870 0.77 CYP1A2 (0.45) CYP2D6KDM4EGAAKDM1ACYP1A2
SCHEMBL15237156 0.77 DRD2 (0.49) ALDH1A1KDM1AMAPTHPGDLMNA
SCHEMBL13888145 0.75 MAOA (0.63) CYP2D6KDM1ACYP1A2MAPTMEN1
SCHEMBL23265178 0.75 KDM1A (0.43) CYP2D6ALDH1A1KDM4EKDM1ACYP1A2
SCHEMBL21765343 0.74 TRPA1 (0.44) CYP2D6ALDH1A1TRPA1CYP1A2CYP2A6

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
EP-0787230-A1 BLEACHING PROCESS COMPRISING USE OF A PHENOL OXIDIZING ENZYME, A HYDROGEN PEROXIDE SOURCE AND AN ENHANCING AGENT NOVO NORDISK A/S (DK) 1997-08-06 EP disclosed
WO-1996012846-A1 BLEACHING PROCESS COMPRISING USE OF A PHENOL OXIDIZING ENZYME, A HYDROGEN PEROXIDE SOURCE AND AN ENHANCING AGENT NOVO NORDISK A/S (DK) 1996-05-02 WO disclosed