SCHEMBL2177178

SCHEMBL2177178

CC(C)(C)CN(Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.58
RIPK1 Q13546 1/20 0.53
PYCR1 P32322 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
RECQL P46063 1/20 0.40
PKM P14618 1/20 0.40
NR3C1 P04150 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7021355 0.87 PTGES (0.43) PTGESRIPK1KMT2AMEN1LMNA
SCHEMBL7025759 0.84 GRIN2D (0.43) PTGESKMT2AMEN1LMNARECQL
SCHEMBL6183303 0.83 PTGES (0.62) PTGESRIPK1PYCR1KMT2AMEN1
SCHEMBL8154608 0.83 MEN1 (0.42) KMT2AMEN1HTTLMNARECQL
SCHEMBL6186387 0.81 PTGES (0.59) PTGESRIPK1PYCR1KMT2AMEN1
SCHEMBL7024994 0.80 ACHE (0.44) PTGESLMNATAAR1RECQL
SCHEMBL7025022 0.79 POLB (0.41) PTGESKMT2ALMNARECQLALDH1A1
SCHEMBL67173 0.79 RIPK1 (0.56) PTGESRIPK1PYCR1KMT2AMEN1
SCHEMBL6032493 0.78 PTGES (0.51) PTGES
SCHEMBL3571606 0.77 PTGES (0.55) PTGESRIPK1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed