SCHEMBL11214575

SCHEMBL11214575

CC(C)Nc1cccc(COC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
SLC1A2 P43004 6/20 0.39
SLC1A1 P43005 6/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC1A3 P43003 4/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
NTRK1 P04629 1/20 0.35
GAA P10253 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
SCHEMBL11218410 0.84 TDP1 (0.45) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL11215660 0.81 TDP1 (0.42) TDP1SLC1A2SLC1A1ALDH1A1L3MBTL1
SCHEMBL646907 0.81 IDO1 (0.42) CYP3A4SLC2A1FFAR4
SCHEMBL25977826 0.80 ABL1 (0.36) TDP1SLC1A2SLC1A1ALDH1A1L3MBTL1
SCHEMBL8359921 0.78 TDP1 (0.50) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL13814427 0.78 TDP1 (0.45) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL19251331 0.78 KDM4E (0.40) SLC1A2SLC1A1ALDH1A1LMNACYP3A4
SCHEMBL9153345 0.77 TDP1 (0.48) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL20374364 0.77 TDP1 (0.48) TDP1ALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL3103283 0.77 TDP1 (0.48) TDP1ALDH1A1L3MBTL1LMNACYP3A4

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
US-4348223-A FOR PREEMERGENT AND POSTEMERGENT APPLICATION PPG INDUSTRIES, INC. (US) 1982-09-07 US disclosed