SCHEMBL6723445

SCHEMBL6723445

COc1cc(C(=O)O)cc(OC)c1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.60
NR4A2 P43354 2/20 0.60
RXRB P28702 2/20 0.60
NR4A1 P22736 1/20 0.59
NR4A3 Q92570 1/20 0.59
RXRG P48443 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
RAB9A P51151 1/20 0.55
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.52
SCN9A Q15858 1/20 0.51
TPMT P51580 1/20 0.50
XDH P47989 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL12433001 0.88 RXRA (0.56) RXRARXRBRXRGL3MBTL1POLB
SCHEMBL12431984 0.85 POLB (0.60) RXRAL3MBTL1RAB9APOLBHSD17B10
SCHEMBL2317454 0.84 RXRA (0.61) RXRAL3MBTL1RAB9APOLBHSD17B10
SCHEMBL12432158 0.83 RXRA (0.57) RXRANR4A2L3MBTL1POLBHSD17B10
SCHEMBL12433155 0.83 MRGPRX4 (0.73) RXRANR4A2L3MBTL1RAB9APOLB
Hydrochloric Acid SCHEMBL16143333 0.83 RXRA (0.60) RXRAL3MBTL1RAB9APOLBHSD17B10
SCHEMBL5014148 0.82 RXRA (0.62) RXRANR4A2RXRBNR4A1NR4A3
SCHEMBL4272450 0.82 RXRA (0.62) RXRANR4A2RXRBNR4A1NR4A3
SCHEMBL6723656 0.82 RXRA (0.64) RXRANR4A2RXRBNR4A1NR4A3
SCHEMBL15673277 0.82 RXRA (0.62) RXRAL3MBTL1RAB9APOLBHSD17B10

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
US-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed