SCHEMBL13378366

SCHEMBL13378366

CCC1(CC)c2ccccc2-c2ccc(-c3ccccc3OC)cc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.59
▸ PTPRC P08575 2/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ CHEK1 O14757 1/20 0.47
▸ HTR7 P34969 3/20 0.43
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ PGR P06401 3/20 0.41
▸ NR3C1 P04150 2/20 0.41
▸ PIK3R1 P27986 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ AR P10275 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2129264 0.84 PDK2 (0.44) PDK2
SCHEMBL12393756 0.82 PDK2 (0.59) PDK2HPGDSMN1; SMN2
SCHEMBL27968523 0.80 PDK2 (0.39) PDK2PGR
SCHEMBL20081106 0.80 PDK2 (0.63) PDK2PTPRCPTPN1CHEK1HTR7
SCHEMBL28055711 0.80 PDK2 (0.51) PDK2PGRSMN1; SMN2
SCHEMBL12056905 0.79 PDK2 (0.49) PDK2
SCHEMBL19153046 0.79 ESR2 (0.42) PDK2ALOX5APFEN1PGRAR
SCHEMBL13378326 0.79 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2
SCHEMBL6683913 0.77 PDK2 (0.38) PDK2PGR
SCHEMBL10153158 0.77 PDK2 (0.47) PDK2ALDH1A1HPGDSMN1; SMN2

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
WO-2010036025-A2 TRANSITION METAL CATALYTIC SYSTEMS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND α- OLEFINS USING THE SAME. SK ENERGY CO., LTD. (KR) 2010-04-01 — — WO disclosed
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