SCHEMBL7743518

SCHEMBL7743518

C#CCOc1cccc(Oc2cc[c]cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.46
MAOA P21397 5/20 0.42
GMPS P49915 1/20 0.40
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
CA2 P00918 1/20 0.38
GSTP1 P09211 1/20 0.38
MTNR1B P49286 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NOD2 Q9HC29 1/20 0.38
CA4 P22748 3/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL11129665 0.86 MAOB (0.56) MAOBMAOAALDH1A1MEN1MITF
SCHEMBL13338101 0.82 MAOB (0.59) MAOBMAOAGMPSCA12CA9
SCHEMBL31691312 0.81 ALDH1A1 (0.65) MAOBMAOACA12CA9CA2
SCHEMBL122928 0.80 CA12 (0.48) MAOBMAOACA12CA9CA2
SCHEMBL921874 0.78 LTA4H (0.53) ALDH1A1MEN1MITFGAAMAPT
SCHEMBL24206230 0.77 CYP19A1 (0.51) MAOBMAOACA12CA9GSTP1
SCHEMBL7743517 0.77 MAOB (0.45) MAOBMAOAGMPSCA12CA9
SCHEMBL30748767 0.75 ALDH1A1 (0.57) MAOBMAOAALDH1A1MEN1MAPT
SCHEMBL2265075 0.74 MAOB (0.58) MAOBMAOA
SCHEMBL920058 0.74 LTA4H (0.59) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E

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-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed