SCHEMBL30358262

SCHEMBL30358262

COc1cc(C)cc(Oc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
ACHE P22303 1/20 0.54
CA4 P22748 1/20 0.52
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 1/20 0.46
HTT P42858 3/20 0.43
MAPT P10636 1/20 0.43
PGR P06401 2/20 0.43
MAOB P27338 1/20 0.43
TACR1 P25103 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PTPN1 P18031 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL20411804 1.00 LTA4H (0.61) LTA4HACHECA4ALDH1A1SMN1; SMN2
Diphenylether SCHEMBL29272050 0.94 LTA4H (0.64) LTA4HACHECA4ALDH1A1SMN1; SMN2
SCHEMBL18415521 0.91 LTA4H (0.73) LTA4HCA4ALDH1A1SMN1; SMN2TSHR
SCHEMBL26309952 0.91 LTA4H (0.60) LTA4HACHEALDH1A1SMN1; SMN2TSHR
SCHEMBL2672668 0.87 ALDH1A1 (0.64) LTA4HACHEALDH1A1SMN1; SMN2TSHR
SCHEMBL10544301 0.82 LTA4H (0.59) LTA4HCA4ALDH1A1SMN1; SMN2TSHR
Anisole SCHEMBL2873709 0.82 ACHE (0.69) LTA4HACHECA4ALDH1A1SMN1; SMN2
SCHEMBL13119751 0.82 LTA4H (0.59) LTA4HCA4ALDH1A1SMN1; SMN2TSHR
SCHEMBL5343776 0.80 ALDH1A1 (0.68) LTA4HACHEALDH1A1SMN1; SMN2TSHR
SCHEMBL491308 0.80 SMN1; SMN2 (0.70) LTA4HACHECA4ALDH1A1SMN1; SMN2

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-2023057401-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2023-04-13 WO disclosed