SCHEMBL8955586

SCHEMBL8955586

CC(C)COc1ccc(C(C)(C)CC(C)(C)C)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
XDH P47989 2/20 0.41
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TLR8 Q9NR97 1/20 0.38
SHBG P04278 1/20 0.38
DHFR P00374 1/20 0.37
LMNA P02545 3/20 0.36
USP2 O75604 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 3/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL10352017 0.80 L3MBTL1 (0.55) ALDH1A1GAAXDHCYP2C19TLR8
SCHEMBL29895607 0.80 GAA (0.49) ALDH1A1GAACYP3A4SMN1; SMN2SHBG
SCHEMBL7048783 0.79 CYP1A2 (0.49) ALDH1A1GAACYP2C19CYP3A4SMN1; SMN2
SCHEMBL8955689 0.77 XDH (0.46) XDHLMNAMAPT
SCHEMBL18752600 0.75 SHBG (0.39) ALDH1A1GAACYP3A4SMN1; SMN2SHBG
SCHEMBL8134520 0.74 ALDH1A1 (0.73) ALDH1A1GAAXDHCYP2C19SMN1; SMN2
SCHEMBL28420819 0.73 SHBG (0.50) ALDH1A1GAACYP3A4SMN1; SMN2SHBG
SCHEMBL1342095 0.71 ALDH1A1 (0.54) ALDH1A1GAAXDHCYP2C19SMN1; SMN2
SCHEMBL358044 0.71 KDM1A (0.57) ALDH1A1GAAXDHCYP2C19CYP3A4
SCHEMBL25324520 0.70 ALDH1A1 (0.59) ALDH1A1GAAXDHCYP2C19CYP3A4

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
EP-0690344-A1 Silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1996-01-03 EP disclosed