SCHEMBL7904945

SCHEMBL7904945

C=C(c1ccc(C(=O)OC)cn1)c1cc(C(C)(C)OC(C)Br)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 1/20 0.39
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
P4HTM Q9NXG6 3/20 0.31
NOTUM Q6P988 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL7898871 0.79 MAPK1 (0.41) MAPK1KDM4EL3MBTL1RXRALMNA
SCHEMBL7904943 0.77 KDM4E (0.38) MAPK1KDM4EL3MBTL1CYP17A1CYP3A4
SCHEMBL7905069 0.77 BRD4 (0.39) MAPK1KDM4EL3MBTL1RXRACYP3A4
SCHEMBL7906282 0.73 MAPK1 (0.53) MAPK1KDM4EL3MBTL1LMNANPC1
SCHEMBL7904907 0.71 MAPK1 (0.46) MAPK1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL7911570 0.71 MAPK1 (0.41) MAPK1KDM4EL3MBTL1RXRALMNA
SCHEMBL6905878 0.70 RXRA (0.77) MAPK1KDM4EL3MBTL1RXRACYP3A4
SCHEMBL8199065 0.69 TDP1 (0.42) KDM4EL3MBTL1RXRALMNANPC1
SCHEMBL7081365 0.67 RXRA (0.49) MAPK1KDM4EL3MBTL1RXRACYP3A4
SCHEMBL2679707 0.65 MAPK1 (0.75) MAPK1KDM4EL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083888-A1 MULTIBINDING AGENTS THAT MODULATE PPARgamma AND RXR RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999063983-A9 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE INC (US) 2000-03-23 WO disclosed
WO-1999063983-A1 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed