SCHEMBL14044003

SCHEMBL14044003

O=C(O)c1ccc(NCc2cccc(OCc3ccccc3)c2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.67
NR4A2 P43354 5/20 0.60
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
THRB P10828 2/20 0.54
PKM P14618 2/20 0.54
BLM P54132 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
SRD5A2 P31213 1/20 0.54
NR1H4 Q96RI1 1/20 0.52
PPARA Q07869 3/20 0.52
BCHE P06276 1/20 0.51
MRGPRX4 Q96LA9 2/20 0.51

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
SCHEMBL1711030 0.84 HDAC8 (0.59) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL14044001 0.82 FFAR1 (0.79) FFAR1NR4A2TSHRSMN1; SMN2RAB9A
SCHEMBL14043995 0.79 MAPT (0.76) FFAR1NR4A2TSHRSMN1; SMN2RAB9A
SCHEMBL4355854 0.79 MEN1 (0.60) FFAR1RAB9AMEN1ALDH1A1MAPT
SCHEMBL4346825 0.78 MEN1 (0.62) FFAR1SMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL14044005 0.78 FFAR1 (0.70) FFAR1NR4A2TSHRSMN1; SMN2RAB9A
SCHEMBL14043999 0.78 FFAR1 (0.65) FFAR1NR4A2TSHRSMN1; SMN2RAB9A
SCHEMBL4745955 0.77 FFAR1 (0.61) FFAR1TSHRSMN1; SMN2RAB9AMEN1
SCHEMBL14043656 0.77 NR4A2 (0.69) FFAR1NR4A2TSHRSMN1; SMN2RAB9A
SCHEMBL1122713 0.77 NR4A2 (0.94) FFAR1NR4A2TSHRSMN1; SMN2MEN1

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
WO-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed