SCHEMBL13378316

SCHEMBL13378316

COc1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.40
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ PTPRC P08575 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL19153200 0.81 PTPN5 (0.47) PDK2ALOX5APFEN1TRPA1
SCHEMBL30595509 0.76 PDK2 (0.46) PDK2
SCHEMBL20081106 0.76 PDK2 (0.63) PDK2ALOX5APFEN1PTPRCPTPN1
SCHEMBL617346 0.75 PDE4B (0.43) ALOX5APFEN1
SCHEMBL2961760 0.75 PDK2 (0.45) PDK2
SCHEMBL1649136 0.74 PDK2 (0.47) PDK2
SCHEMBL12393755 0.73 PGR (0.55) PDK2CHEK1
SCHEMBL10025096 0.73 PDK2 (0.50) PDK2ALOX5APFEN1PTPRCPTPN1
SCHEMBL10025081 0.73 PDK2 (0.50) PDK2ALOX5APFEN1PTPRCPTPN1
SCHEMBL10025087 0.73 PDK2 (0.50) PDK2ALOX5APFEN1PTPRCPTPN1

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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