SCHEMBL22235487

SCHEMBL22235487

COC(=O)c1ccc(Nc2cc(C(C)(C)C)cc3c2CCC3(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.39
CYP3A4 P08684 3/20 0.38
RXRG P48443 2/20 0.37
MAPK1 P28482 2/20 0.37
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
RARA P10276 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP26A1 O43174 2/20 0.35
SPR P35270 1/20 0.35
DEGS1 O15121 1/20 0.34
RXRB P28702 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29498868 1.00 RXRA (0.39) RXRACYP3A4RXRGMAPK1RARB
SCHEMBL7081365 0.80 RXRA (0.49) RXRACYP3A4RXRGMAPK1RARB
SCHEMBL7081366 0.80 RXRA (0.40) RXRACYP3A4RXRGMAPK1RARB
SCHEMBL22235311 0.78 MAPK1 (0.45) MAPK1MAPTHPGDKDM4EL3MBTL1
SCHEMBL29498842 0.78 RXRA (0.38) RXRACYP3A4RXRGMAPK1RARB
SCHEMBL22235726 0.78 RXRA (0.38) RXRACYP3A4RXRGMAPK1RARB
SCHEMBL22235642 0.76 KDM4E (0.45) MAPK1MAPTHPGDKDM4EL3MBTL1
SCHEMBL29498855 0.76 KDM4E (0.45) MAPK1MAPTHPGDKDM4EL3MBTL1
SCHEMBL22235635 0.75 MAPK1 (0.48) MAPK1MAPTHPGDKDM4EL3MBTL1
SCHEMBL29498889 0.75 MAPK1 (0.48) MAPK1MAPTHPGDKDM4EL3MBTL1

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
EP-3911309-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER Board Of Trustees Of Michigan State University (US) 2021-11-24 EP disclosed
WO-2020150668-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-07-23 WO disclosed