SCHEMBL5694381

SCHEMBL5694381

CC1(C)CCCC(C)(C)N1OC(=O)c1ccccc1OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KAT2B Q92831 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
TSHR P16473 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
PDE4B Q07343 1/20 0.40
LMNA P02545 1/20 0.39
PDE5A O76074 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
EPHX2 P34913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CCR3 P51677 1/20 0.37

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
SCHEMBL6544243 0.82 TSHR (0.44) ALDH1A1TSHRKMT2AMEN1LMNA
Ammonia Solution, Strong SCHEMBL27808056 0.78 MEN1 (0.52) ALDH1A1KAT2BBAZ2BTSHRKMT2A
SCHEMBL8423858 0.78 MEN1 (0.52) ALDH1A1KAT2BBAZ2BTSHRKMT2A
SCHEMBL28704692 0.77 HTT (0.46) ALDH1A1TSHRKMT2AMEN1
SCHEMBL28229700 0.77 LMNA (0.49) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL5332642 0.77 PDE5A (0.57) ALDH1A1KAT2BBAZ2BTSHRKMT2A
SCHEMBL5332916 0.76 MEN1 (0.53) ALDH1A1KAT2BBAZ2BTSHRKMT2A
SCHEMBL10790141 0.73 EPHX2 (0.51) ALDH1A1KAT2BBAZ2BTSHRKMT2A
SCHEMBL29483330 0.73 EPHX2 (0.51) ALDH1A1KAT2BBAZ2BTSHRKMT2A
SCHEMBL10790302 0.73 EPHX2 (0.51) ALDH1A1KAT2BBAZ2BTSHRKMT2A

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-1644329-A1 HYDROGEN PEROXIDE CATALYZED PROCESS FOR THE PREPARATION OF STERICALLY HINDERED N-HYDROCARBYLOXYAMINES Ciba SC Holding AG (CH) 2006-04-12 EP claimed
WO-2005005388-A1 HYDROGEN PEROXIDE CATALYZED PROCESS FOR THE PREPARATION OF STERICALLY HINDERED N-HYDROCARBYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-01-20 WO claimed