SCHEMBL10017684

SCHEMBL10017684

CC1(C(C)(C)C(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.45
SRC P12931 1/20 0.42
MAPK1 P28482 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CES2 O00748 3/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2767076 0.77 CES1 (0.41) CES1SRCTSHRALDH1A1HSD17B10
SCHEMBL6546660 0.74 CES1 (0.56) CES1SRCMAPK1TSHRALDH1A1
SCHEMBL8395248 0.73 CES1 (0.54) CES1SRCMAPK1TSHRALDH1A1
SCHEMBL226691 0.72 CES1 (0.58) CES1SRCMAPK1TSHRALDH1A1
SCHEMBL21109870 0.72 CES1 (0.58) CES1SRCMAPK1TSHRALDH1A1
SCHEMBL4618681 0.72 CES1 (0.58) CES1SRCMAPK1TSHRALDH1A1
Hydrochloric Acid SCHEMBL2597972 0.70 CES1 (0.56) CES1SRCMAPK1TSHRALDH1A1
SCHEMBL21310 0.70 CES1 (0.56) CES1SRCMAPK1TSHRALDH1A1
SCHEMBL11341422 0.70 CES1 (0.56) CES1SRCTSHRALDH1A1HSD17B10
SCHEMBL1606581 0.70 CES1 (0.56) CES1SRCMAPK1TSHRALDH1A1

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-2413182-A1 Solid-state imaging device, driving method thereof and electronic apparatus Sony Corporation (JP) 2012-02-01 EP disclosed