SCHEMBL5079306

SCHEMBL5079306

CCP(CC)c1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ADRB2 P07550 1/20 0.36
PTGS2 P35354 1/20 0.35
HTR7 P34969 2/20 0.35
BACE1 P56817 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
HDAC4 P56524 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
SCHEMBL4449690 0.86 TP53 (0.32) ALDH1A1HSD17B10MAPK1SMN1; SMN2LMNA
SCHEMBL28241062 0.83 DPP4 (0.36) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL25432372 0.81 DPP4 (0.38) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL1568442 0.80 TSHR (0.40) DPP4PDCD1CD274KDM4ESOAT1
SCHEMBL2551269 0.79 SOAT1 (0.41) SOAT1
SCHEMBL2652215 0.79 TSHR (0.39) DPP4PDCD1CD274KDM4ESOAT1
SCHEMBL30616094 0.78 TP53 (0.36) ALDH1A1HPGDKDM4EGAA
SCHEMBL2912079 0.78 TP53 (0.36) ALDH1A1HPGDKDM4EGAA
SCHEMBL4717661 0.78 DPP4 (0.35) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL28240068 0.77 SOAT1 (0.43) SOAT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
CN-101448773-B Metal complexes for use in the carbonylation of ethylenically unsaturated compounds LUCITE INT UK LTD 2015-02-11 CN disclosed
CN-101448773-A Metal complexes for use in the carbonylation of ethylenically unsaturated compounds LUCITE INT UK LTD (GB) 2009-06-03 CN disclosed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP disclosed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 WO disclosed