SCHEMBL9735249

SCHEMBL9735249

COCC1(C)C=C(N2CCCC2=O)c2cc(Br)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 4/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CHEK1 O14757 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
PTGER1 P34995 2/20 0.31
HSD17B10 Q99714 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
PBRM1 Q86U86 1/20 0.30

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
SCHEMBL9735458 0.85 NR1H4 (0.39) POLBKDM4EMAPTMALT1MEN1
SCHEMBL9735603 0.85 PDE4A (0.44) CHEK1MALT1PDE4APDE4BPDE4C
SCHEMBL9735371 0.84 ALDH1A1 (0.37) POLBNPSR1KDM4EMAPTTSHR
SCHEMBL9737951 0.80 PTGER1 (0.34) POLBNPSR1KDM4EMAPTMALT1
SCHEMBL9736934 0.76 NPSR1 (0.33) NPSR1KDM4EMAPT
SCHEMBL9588069 0.72 CA1 (0.38) CHEK1MALT1HSD17B10MEN1TSHR
SCHEMBL9587860 0.72 CA1 (0.38) CHEK1MALT1HSD17B10MEN1TSHR
SCHEMBL9735577 0.72 NPSR1 (0.33) NPSR1KDM4EMAPTMALT1PBRM1
SCHEMBL9846729 0.71 BACE1 (0.37) POLBMALT1HSD17B10CTSDBACE1
SCHEMBL9737580 0.70 SMN1; SMN2 (0.35) POLBKDM4EMALT1PTGER1HSD17B10

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed