SCHEMBL10178554

SCHEMBL10178554

CCC(C)c1ccccc1COC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
NISCH Q9Y2I1 1/20 0.39
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
PPARA Q07869 1/20 0.33
PDK2 Q15119 1/20 0.33
RORC P51449 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
SCHEMBL9571993 0.86 TSHR (0.53) TSHRNISCHKDM4EL3MBTL1ATM
SCHEMBL28724166 0.83 TSHR (0.50) TSHRNISCHKDM4EL3MBTL1ATM
SCHEMBL9968895 0.82 GABRA1 (0.41) TSHRNISCHL3MBTL1GABRA1GABRB2
SCHEMBL3627333 0.79 TSHR (0.59) TSHRNISCHKDM4EL3MBTL1ATM
SCHEMBL9838740 0.79 TSHR (0.59) TSHRNISCHKDM4EL3MBTL1ATM
SCHEMBL23489760 0.78 PDK2 (0.36) TSHRKDM4EATMHTTALDH1A1
SCHEMBL2889829 0.78 PDK2 (0.36) TSHRKDM4EATMHTTALDH1A1
SCHEMBL4606173 0.78 CYP2D6 (0.38) ALDH1A1PDK2
SCHEMBL5353085 0.78 TSHR (0.57) TSHRNISCHKDM4EL3MBTL1ATM
SCHEMBL23488987 0.78 TSHR (0.49) TSHRKDM4EL3MBTL1ALDH1A1MAPT

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
US-8124310-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20090087784-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed