SCHEMBL5080682

SCHEMBL5080682

CC(C)COC(=O)c1cc(Br)sc1C(=O)OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 4/20 0.51
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GSK3B P49841 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 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
SCHEMBL5079623 0.83 ALDH1A1 (0.53) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL5080642 0.81 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL5077042 0.81 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL5079627 0.80 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL5082925 0.80 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL5078856 0.78 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL4628560 0.76 TSHR (0.61) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL5082919 0.76 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL827863 0.75 TSHR (0.70) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL1971697 0.73 MAPT (0.44) ALDH1A1TSHRKDM4EMAPTMEN1

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
CN-1871266-B Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA 2012-05-09 CN disclosed
US-7371802-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2008-05-13 US disclosed
US-20070106039-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2007-05-10 US disclosed