SCHEMBL6065376

SCHEMBL6065376

CCOC(=O)Cc1c[nH]c2cc(OCCc3cc(-c4ccc(C(F)(F)F)cc4)nn3C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
AGER Q15109 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARA Q07869 4/20 0.37
PPARG P37231 2/20 0.37
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HCRTR2 O43614 1/20 0.35
PPARD Q03181 2/20 0.34
PTGS2 P35354 1/20 0.34
SCN9A Q15858 1/20 0.34
ICMT O60725 2/20 0.33
TRPM2 O94759 1/20 0.33

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
SCHEMBL6065379 0.96 PKM (0.40) PKMAGERMAPTMEN1ALDH1A1
SCHEMBL6065368 0.92 PKM (0.41) PKMMAPTMEN1ALDH1A1LMNA
SCHEMBL6064609 0.92 PKM (0.42) PKMAGERMAPTPPARAPPARG
SCHEMBL6064614 0.90 PPARD (0.40) AGERPPARAPPARGTRPV1PPARD
SCHEMBL6065718 0.88 PKM (0.40) PKMMAPTMEN1ALDH1A1LMNA
SCHEMBL6064761 0.86 AGER (0.40) AGERPPARAPPARGTRPV1HCRTR2
SCHEMBL6065143 0.84 PKM (0.42) PKMMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL6064612 0.84 KDM4E (0.47) AGERALDH1A1LMNAPPARAPPARG
SCHEMBL6065369 0.84 PKM (0.40) PKMMAPTMEN1LMNAKMT2A
SCHEMBL6065284 0.82 PKM (0.39) PKMMAPTMEN1ALDH1A1LMNA

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-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed