SCHEMBL1897182

SCHEMBL1897182

C=COC(=O)c1ccccc1CC(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 3/20 0.40
CA2 P00918 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TSHR P16473 5/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 2/20 0.34
UTS2R Q9UKP6 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 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
SCHEMBL1902146 0.87 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL9251505 0.84 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRLMNAHTT
SCHEMBL1895680 0.82 KMT2A (0.38) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL1897987 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL1901579 0.79 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL985791 0.78 THRA (0.48) ALDH1A1CYP3A4CA2TSHRLMNA
Alcohol SCHEMBL1567009 0.77 TSHR (0.52) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL15254620 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRLMNAHTT
SCHEMBL6551352 0.76 CYP3A4 (0.47) ALDH1A1CYP3A4TSHRLMNAHTT
SCHEMBL31277038 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2PRSS1PRSS2

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed