SCHEMBL6723656

SCHEMBL6723656

CC(C)(C)c1ccc(COc2c(Cl)cc(C(=O)O)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.64
RXRB P28702 3/20 0.64
RXRG P48443 2/20 0.64
NR4A2 P43354 2/20 0.62
NR4A1 P22736 1/20 0.60
NR4A3 Q92570 1/20 0.60
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NR1H4 Q96RI1 2/20 0.49
EPHX2 P34913 1/20 0.49
PLAU P00749 1/20 0.49
XDH P47989 1/20 0.47
MRGPRX4 Q96LA9 5/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4272450 0.86 RXRA (0.62) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL6725147 0.84 NR4A2 (0.62) RXRARXRBRXRGNR4A2RAB9A
SCHEMBL8405946 0.84 RXRA (0.50) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL5014148 0.83 RXRA (0.62) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL6723445 0.82 RXRA (0.60) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL1457712 0.82 MEN1 (0.63) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL11349380 0.78 MRGPRX4 (0.68) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL8459965 0.77 RXRA (1.00) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL9813418 0.77 RXRA (1.00) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL16351377 0.76 MRGPRX4 (0.68) RXRARXRBRXRGNR4A2NR4A1

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
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO claimed
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-2003009871-A2 INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR FOR DECREASING BODY MASS GENSET S.A. (FR) 2003-02-06 WO disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed