SCHEMBL7766672

SCHEMBL7766672

COCC(COc1cccc(CO)c1)OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
KDM4E B2RXH2 2/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
FYN P06241 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL7766667 0.86 TSHR (0.41) TSHRMAPK1CYP2C9KDM4EALDH1A1
SCHEMBL19944724 0.82 KDM4E (0.49) TSHRMAPK1CYP2C9SMN1; SMN2KDM4E
SCHEMBL7774111 0.81 MAPK1 (0.47) TSHRMAPK1CYP2C9KDM4E
SCHEMBL6042099 0.81 CYP2C9 (0.45) TSHRCYP2C9
SCHEMBL8050867 0.80 TSHR (0.49) TSHRMAPK1SMN1; SMN2GPBAR1CYSLTR1
SCHEMBL2063461 0.80 ALDH1A1 (0.50) TSHRMAPK1SMN1; SMN2GPBAR1CYSLTR1
SCHEMBL1135279 0.78 FYN (0.56) TSHRMAPK1SMN1; SMN2GPBAR1CYSLTR1
SCHEMBL17034727 0.78 CYP2C9 (0.55) TSHRCYP2C9ALDH1A1
SCHEMBL18175512 0.78 TSHR (0.47) TSHRMAPK1SMN1; SMN2GPBAR1CYSLTR1
SCHEMBL12100986 0.77 TSHR (0.41) TSHRMAPK1SMN1; SMN2GPBAR1CYSLTR1

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