SCHEMBL10250093

SCHEMBL10250093

CCC(CC(C)C)c1ccc(O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.54
BLM P54132 2/20 0.53
PMP22 Q01453 1/20 0.53
BCHE P06276 2/20 0.52
TYR P14679 2/20 0.52
ACHE P22303 2/20 0.52
SLC22A3 O75751 1/20 0.52
GAA P10253 1/20 0.52
FOLH1 Q04609 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
FOS P01100 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.49
NR3C1 P04150 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49

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
SCHEMBL8946942 0.84 TSHR (0.56) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL16212370 0.83 CYP3A4 (0.68) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL21402289 0.82 TSHR (0.57) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL28410494 0.81 TSHR (0.59) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL20000881 0.81 TSHR (0.55) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL28578493 0.80 CYP3A4 (0.72) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL178482 0.80 TSHR (0.62) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL1682681 0.78 GAA (0.77) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL18903256 0.78 TSHR (0.53) TSHRCYP3A4NFKB1BLMPMP22
SCHEMBL5072122 0.78 BCHE (0.73) TSHRCYP3A4NFKB1BLMPMP22

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-2413191-A1 Actinic-ray- or radiation-sensitive resin composition, resist film therefrom and method of forming pattern therewith Fujifilm Corporation (JP) 2012-02-01 EP disclosed