SCHEMBL4733499

SCHEMBL4733499

CCC(C)OC(=O)c1ccccc1C(=O)c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ELANE P08246 3/20 0.41
ADRA1A P35348 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL28201247 0.85 ALDH1A1 (0.52) CRHBPCRHR2LMNAPOLBALDH1A1
SCHEMBL10693398 0.81 TSHR (0.60) PBRM1LMNAPOLBNPC1MITF
SCHEMBL6231293 0.80 ALDH1A1 (0.58) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL9468318 0.78 PBRM1 (0.74) PBRM1LMNAPOLBNPC1MITF
SCHEMBL8546366 0.76 ALDH1A1 (0.60) LMNAPOLBNPC1ALDH1A1ADRA1A
SCHEMBL2989810 0.74 ALDH1A1 (0.68) POLBALDH1A1ADRA1AKDM4ESCN1A
SCHEMBL8880799 0.74 ALDH1A1 (0.52) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL5375275 0.74 MAPT (0.48) LMNAPOLBNPC1SCN1ASCN2A
SCHEMBL28815185 0.73 TSHR (0.70) LMNAALDH1A1ADRA1AKDM4ESCN1A
SCHEMBL11863445 0.73 LMNA (0.53) PBRM1LMNAPOLBNPC1MITF

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-2008060844-A1 POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE ALBEMARLE CORPORATION (US) 2008-05-22 WO disclosed