SCHEMBL11883288

SCHEMBL11883288

CCC(=O)c1ccccc1OCCBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
ABCB1 P08183 4/20 0.51
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL7645232 0.86 KDM4E (0.58) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL13430811 0.85 LMNA (0.62) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL27823277 0.83 KDM4E (0.56) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL3029800 0.82 HCRTR1 (0.62) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL11345796 0.82 LMNA (0.72) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL11441352 0.82 LMNA (0.72) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL1257635 0.81 ALDH1A1 (0.71) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL9969762 0.81 TSHR (0.61) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL5052356 0.80 LMNA (0.53) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL2389931 0.80 HSP90AA1 (0.58) KDM4EKMT2AMEN1TSHRALDH1A1

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-3959359-A VASODILATORS LABORATOIRES LAROCHE NAVARRON (FR) 1976-05-25 US disclosed