SCHEMBL5048474

SCHEMBL5048474

CC(=O)Cc1ccccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DPP4 P27487 1/20 0.47
PTGS1 P23219 2/20 0.46
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
FOLH1 Q04609 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
LMNA P02545 2/20 0.46
ABCC4 O15439 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL27457156 0.96 KMT2A (0.56) KMT2AL3MBTL1MAPTSMN1; SMN2DPP4
SCHEMBL5045725 0.87 FFAR1 (0.47) KMT2AL3MBTL1MAPTSMN1; SMN2PTGS1
SCHEMBL5961842 0.85 PTGS1 (0.59) KMT2ADPP4PTGS1PTGER1PTGER4
SCHEMBL28195006 0.82 FFAR1 (0.46) PTGER1PTGER4PTGER3PTGER2PPARA
SCHEMBL30887010 0.81 KMT2A (0.53) KMT2ASMN1; SMN2DPP4PTGS1PTGER1
Ethane SCHEMBL28588588 0.81 PTGS1 (0.57) KMT2ADPP4PTGS1PTGER1PTGER4
SCHEMBL3437801 0.80 KMT2A (0.60) KMT2ADPP4PTGS1PTGER1PTGER4
SCHEMBL28173176 0.80 DPP4 (0.54) KMT2ASMN1; SMN2DPP4PTGS1PTGER1
SCHEMBL538512 0.80 KMT2A (0.60) KMT2ADPP4PTGS1PTGER1PTGER4
SCHEMBL5048312 0.80 SLC6A2 (0.51) KMT2ASMN1; SMN2TSHRRAB9ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP disclosed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO disclosed