SCHEMBL13378332

SCHEMBL13378332

COc1ccc(C)cc1-c1ccc2c(c1)C(CC(C)C)(CC(C)C)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTPRC P08575 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CTSA P10619 4/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ELANE P08246 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
SCHEMBL19153060 0.83 PDK2 (0.40) PDK2KDM4EALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27969289 0.80 PDK2 (0.46) PDK2LMNASMN1; SMN2ELANE
SCHEMBL13378366 0.74 PDK2 (0.59) PDK2ALDH1A1SMN1; SMN2PTPRCPTPN1
SCHEMBL19152742 0.74 SMN1; SMN2 (0.37) PDK2ALDH1A1SMN1; SMN2PTPN1
SCHEMBL13378330 0.73 BACE1 (0.37) KDM4EALDH1A1LMNAMDM2SMN1; SMN2
SCHEMBL6060609 0.72 APEX1 (0.42) PDK2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL19153355 0.71 PTPN5 (0.44) PDK2LMNAALOX5APFEN1
SCHEMBL19152599 0.70 HDAC4 (0.36) PDK2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL19153156 0.69 PDK2 (0.43) PDK2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL19153194 0.68 KDR (0.36) PDK2ALDH1A1ALOX5APFEN1

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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