SCHEMBL21522892

SCHEMBL21522892

CCCCC(CC(=O)OCC)N(C(=O)OCC)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TRPA1 O75762 1/20 0.32
KMT2A Q03164 2/20 0.31
ALOX15 P16050 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL21522854 0.91 MGAM (0.35) RECQLCYP3A4TSHRTDP1MGAM
SCHEMBL28482599 0.88 GPR84 (0.37) RECQLCYP3A4TSHRTDP1CA1
SCHEMBL21522869 0.85 MGAM (0.39) CYP3A4TSHRTDP1MGAMGAA
SCHEMBL21522946 0.81 MGAM (0.35) CYP3A4TSHRTDP1MGAMGAA
SCHEMBL21522931 0.81 CA2 (0.39) RECQLCYP3A4TSHRTDP1MGAM
SCHEMBL21522909 0.80 RECQL (0.35) RECQLCYP3A4TSHRTDP1MGAM
SCHEMBL21522948 0.79 RECQL (0.33) RECQLCYP3A4TSHRTDP1MGAM
SCHEMBL20166073 0.79 ALDH1A1 (0.38) RECQLCYP3A4TSHRTDP1MGAM
SCHEMBL28492881 0.78 GPR84 (0.32) TDP1ALDH1A1POLBCHRM1HSD17B10
SCHEMBL21522908 0.76 NAAA (0.39) TSHRATMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541857-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2020-09-09 EP disclosed
US-10654946-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2020-05-19 US disclosed
US-20190330388-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-10-31 US disclosed