SCHEMBL8205402

SCHEMBL8205402

CCCCCCCCCCCCCC(CCCCCCCC)(CCCCCCCCCC)OCC1CO1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
ENPP2 Q13822 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
TSHR P16473 4/20 0.37
MAPK1 P28482 1/20 0.37
EPHX1 P07099 1/20 0.37
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL24488743 0.91 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL24137575 0.84 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL10943048 0.84 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL22096093 0.81 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL7547875 0.80 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
SCHEMBL1458032 0.80 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
Tetradecane SCHEMBL22157 0.76 ALDH1A1 (0.80) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
Nonane SCHEMBL3129159 0.76 ALDH1A1 (0.80) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
Tridecane SCHEMBL2035596 0.76 ALDH1A1 (0.80) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2
Heptane SCHEMBL7774936 0.76 ALDH1A1 (0.80) ALDH1A1TDP1SMN1; SMN2ENPP2LPAR2

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-6165613-A Adhesive paste for semiconductors NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2000-12-26 US claimed
US-6165613-A Adhesive paste for semiconductors NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2000-12-26 US disclosed