SCHEMBL2458334

SCHEMBL2458334

COC(=O)c1cccc(C(O)c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPY5R Q15761 1/20 0.44
TSHR P16473 1/20 0.43
CYP4F2 P78329 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
SCHEMBL3340488 0.88 TSHR (0.58) RAB9AMAPK1LOXL2CA1CA2
SCHEMBL3636710 0.87 TDP1 (0.51) KMT2AMEN1LMNARAB9AMAPT
SCHEMBL4810030 0.84 LOXL2 (0.50) MRGPRX4RAB9ALOXL2CA12CA1
SCHEMBL3341021 0.82 ADRB2 (0.46) KMT2AMEN1MRGPRX4LMNARAB9A
SCHEMBL6413539 0.82 HDAC6 (0.49) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL3340741 0.82 GPR17 (0.50) RAB9AMAPTLOXL2TSHRCYP4F2
SCHEMBL1568650 0.81 ADRB2 (0.54) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL4407209 0.79 TSHR (0.53) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL2650423 0.79 TSHR (0.53) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL4407205 0.79 TSHR (0.53) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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-2011117254-A1 PIPERIDINE AMIDES AS MODULATORS OF THE GHRELIN RECEPTOR PROSIDION LIMITED (GB) 2011-09-29 WO disclosed