SCHEMBL67116

SCHEMBL67116

CC(C)(C)CN(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
RIPK1 Q13546 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGES O14684 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
GAA P10253 1/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL15320269 0.82 TSHR (0.50) MTNR1AMTNR1BKMT2AMEN1SMN1; SMN2
SCHEMBL16817994 0.81 CYP3A4 (0.39) KMT2AMEN1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL14909477 0.79 MAPK1 (0.36) KMT2AMEN1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL1925718 0.78 RAB9A (0.51) MTNR1AMTNR1BKMT2ASMN1; SMN2PTGES
SCHEMBL4600519 0.77 MTNR1A (0.47) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL67323 0.76 MTNR1A (0.44) MTNR1AMTNR1BRIPK1KMT2AMEN1
SCHEMBL12541476 0.74 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL14200998 0.74 MTNR1A (0.41) MTNR1AMTNR1BRIPK1KMT2AMEN1
SCHEMBL67698 0.73 POLB (0.41) KMT2AMEN1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL3452581 0.73 ALDH1A1 (0.47) MTNR1AMTNR1BKMT2AMEN1SMN1; SMN2

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-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed