SCHEMBL16716009

SCHEMBL16716009

CCC(C)(CC)COCC1CO1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
MAPK1 P28482 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 8/20 0.48
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL11983797 0.96 TSHR (0.67) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL260117 0.89 TSHR (0.75) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL13558703 0.89 TSHR (0.75) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL27472767 0.87 TSHR (0.56) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL13383371 0.83 TSHR (0.80) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL20130939 0.83 ALDH1A1 (0.56) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12582308 0.83 TSHR (0.51) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Propane SCHEMBL3297482 0.82 TSHR (0.60) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL1471724 0.82 TSHR (0.64) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL17965675 0.82 TSHR (0.64) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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-9034971-B2 Composite sheet and display substrate using same CHEIL INDUSTRIES INC. (KR) 2015-05-19 US disclosed