SCHEMBL8493053

SCHEMBL8493053

BrC1(c2ccc(Oc3ccccc3)cc2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
TSHR P16473 1/20 0.44
MAOA P21397 3/20 0.41
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
MAOB P27338 2/20 0.39
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2310548 0.82 CYP1A2 (0.36) TSHRMAOAMAOBSMN1; SMN2
SCHEMBL11863652 0.74 LTA4H (0.41) LTA4HTSHRMAOANR1H2BAX
SCHEMBL13502568 0.73 HTR1A (0.36) LTA4HTSHRUTS2R
SCHEMBL11129306 0.73 MMP2 (0.38) LTA4HTSHRMMP2MMP3MMP9
SCHEMBL10363964 0.71 LTA4H (0.38) LTA4HTSHRMAOANR1H2BAX
Diphenylether SCHEMBL4639231 0.70 LTA4H (0.71) LTA4HTSHRMAOANR1H2BAX
SCHEMBL3893562 0.69 LTA4H (0.92) LTA4HTSHRMAOANR1H2BAX
SCHEMBL22129853 0.69 LTA4H (0.92) LTA4HTSHRMAOANR1H2BAX
SCHEMBL122719 0.69 LTA4H (0.92) LTA4HTSHRMAOANR1H2BAX
Diphenylether SCHEMBL27459589 0.69 LTA4H (0.92) LTA4HTSHRMAOANR1H2BAX

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-1999038833-A1 PROCESS FOR THE HALOGENATION OF ALDEHYDES AND KETONES BROMINE COMPOUNDS LTD. (IL) 1999-08-05 WO disclosed