SCHEMBL6989552

SCHEMBL6989552

Cc1oc(-c2cccc(Br)c2)nc1CCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.54
PPARA Q07869 4/20 0.54
KDM1A O60341 2/20 0.51
RXFP1 Q9HBX9 2/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5103142 0.89 RXFP1 (0.52) PPARGPPARAKDM1ARXFP1NPC1
SCHEMBL4888438 0.86 PPARG (0.57) PPARGPPARAKDM1ARXFP1NPC1
SCHEMBL5479662 0.83 RXFP1 (0.52) PPARGPPARAKDM1ARXFP1NPC1
SCHEMBL3973842 0.83 RXFP1 (0.52) PPARGPPARAKDM1ARXFP1NPC1
SCHEMBL10480770 0.82 HRH3 (0.61) PPARGPPARAKDM1ANPC1RAB9A
SCHEMBL5103005 0.80 RXFP1 (0.49) PPARGPPARAKDM1ARXFP1NPC1
SCHEMBL14414897 0.79 RXFP1 (0.47) PPARGPPARAKDM1ARXFP1NPC1
SCHEMBL5099375 0.78 KDM4E (0.72) PPARGPPARARXFP1NPC1RAB9A
SCHEMBL5478589 0.76 PPARG (0.61) PPARGPPARARXFP1MEN1KMT2A
SCHEMBL3532628 0.75 KDM1A (0.57) PPARGPPARAKDM1ANPC1RAB9A

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-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed