SCHEMBL5081022

SCHEMBL5081022

CP(C)c1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2A6 P11509 2/20 0.42
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.39
BACE1 P56817 1/20 0.39
DPP4 P27487 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP2B6 P20813 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2918695 0.84 MEN1 (0.33) ALDH1A1HPGDMAPK1MEN1KMT2A
SCHEMBL258731 0.79 ESR1 (0.43) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL6292080 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL25432372 0.78 DPP4 (0.38) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL10206731 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL3790921 0.78 ESR1 (0.42) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL14245009 0.75 HDAC4 (0.46) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL3757327 0.75 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL10792406 0.75 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL29204681 0.75 CYP2A6 (0.48) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1

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 6 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-101855189-A Process for producing alcohol MITSUBISHI CHEM CORP 2010-10-06 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