SCHEMBL5080642

SCHEMBL5080642

CC(C)COC(=O)c1cc(C(C)C)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 2/20 0.51
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RAF1 P04049 1/20 0.36
GPR35 Q9HC97 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL5082917 0.85 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL5079623 0.83 ALDH1A1 (0.53) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL5080682 0.81 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL5077042 0.81 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL5082925 0.80 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL5079627 0.80 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL5078856 0.78 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL5082919 0.76 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL827863 0.75 TSHR (0.70) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL6058566 0.74 NPC1 (0.34) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1

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