SCHEMBL6058822

SCHEMBL6058822

CCCCCCCCOC(=O)c1cscc1C(=O)OCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 1/20 0.67
MAPK1 P28482 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ESR1 P03372 3/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53

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
SCHEMBL6058824 0.95 TSHR (0.61) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL9799473 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL19348915 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL828502 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL20695622 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL18106214 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL18109769 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL19348920 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL829747 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL20695609 0.83 TSHR (0.73) TSHRALDH1A1LMNAMAPK1TP53

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-1678218-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2006-07-12 EP disclosed
WO-2005047351-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2005-05-26 WO disclosed