SCHEMBL1897987

SCHEMBL1897987

C=COC(=O)c1ccccc1CC(C)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 2/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 2/20 0.36
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1895680 0.92 KMT2A (0.38) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL1902146 0.87 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL985791 0.81 THRA (0.48) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL1901143 0.81 KMT2A (0.42) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL1897182 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL1901579 0.79 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL9251505 0.79 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL8094597 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL8100398 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL1900161 0.75 TSHR (0.47) ALDH1A1CYP3A4TSHRTDP1L3MBTL1

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