SCHEMBL8307730

SCHEMBL8307730

CCOC(=O)c1ccc(Br)c(OCc2ccc(OC)cc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
MAPT P10636 7/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
FFAR1 O14842 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
APP P05067 1/20 0.41
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1302187 0.89 MAOB (0.46) MAOBMAPTALDH1A1GAASMN1; SMN2
SCHEMBL8307185 0.85 RAB9A (0.54) MAOBMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8492599 0.81 MAPT (0.52) MAOBMAPTALDH1A1GAASMN1; SMN2
SCHEMBL7559624 0.81 MAPT (0.51) MAOBMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL9356233 0.80 MAOB (0.48) MAOBMAPTALDH1A1GAASMN1; SMN2
SCHEMBL8491964 0.78 KMT2A (0.44) MAOBMAPTALDH1A1GAASMN1; SMN2
SCHEMBL9119101 0.78 TSHR (0.45) MAOBMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1301262 0.77 MAPT (0.49) MAOBMAPTALDH1A1GAASMN1; SMN2
SCHEMBL12109050 0.77 MAOB (0.48) MAOBMAPTALDH1A1GAASMN1; SMN2
SCHEMBL6425637 0.77 TSHR (0.44) MAOBMAPTALDH1A1SMN1; SMN2KMT2A

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
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed