SCHEMBL13810554

SCHEMBL13810554

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1COC(=O)Nc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
PTPN2 P17706 1/20 0.37

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
SCHEMBL13810562 0.93 PPARG (0.42) PPARGPPARDPPARALMNAMAPT
SCHEMBL13810553 0.92 PPARG (0.45) PPARGPPARDPPARAKDM4ELMNA
SCHEMBL13810572 0.92 KMT2A (0.43) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL4331640 0.92 PPARG (0.42) PPARGPPARDPPARAKDM4ELMNA
SCHEMBL13810555 0.91 PPARG (0.41) PPARGPPARAKDM4ELMNACYP2D6
SCHEMBL4334617 0.90 ALDH1A1 (0.41) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL4328960 0.89 PPARG (0.40) PPARGPPARDPPARAKDM4EMAPT
SCHEMBL13810557 0.89 PPARA (0.50) PPARGPPARDPPARAMAPT
SCHEMBL4334222 0.89 SMN1; SMN2 (0.48) PPARGLMNAMAPTCYP2D6CYP2C19
SCHEMBL4486227 0.88 KDM4E (0.47) PPARGPPARDPPARAKDM4ELMNA

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed