SCHEMBL7774111

SCHEMBL7774111

[CH2]c1cccc(OCC(COC)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL7766672 0.81 TSHR (0.45) MAPK1TSHRCYP2C9KDM4E
SCHEMBL17034727 0.80 CYP2C9 (0.55) TSHRCYP2C9MTNR1AMTNR1BCYP2D6
SCHEMBL7766667 0.80 TSHR (0.41) MAPK1TSHRCYP2C9KDM4EHIF1A
SCHEMBL6413206 0.79 TRIM24 (0.46) MAPK1TSHRKDM4EHIF1AMTNR1A
SCHEMBL19944358 0.79 TSHR (0.62) MAPK1TSHRCYP2C9KDM4EMTNR1A
SCHEMBL3469884 0.79 MAPK1 (0.46) MAPK1TSHRKDM4EMTNR1AMTNR1B
SCHEMBL7594551 0.77 MAPK1 (0.39) MAPK1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL23523394 0.75 TSHR (0.41) MAPK1TSHRKDM4EHIF1AMTNR1A
SCHEMBL3470996 0.75 TSHR (0.46) MAPK1TSHRKDM4ECYP1A2CYP2D6
SCHEMBL3470603 0.75 TSHR (0.46) MAPK1TSHRKDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5760191-A Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods NYCOMED IMAGING AS (NO) 1998-06-02 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed