SCHEMBL17403175

SCHEMBL17403175

CC(=O)CC1=CCOc2cc(O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MIF P14174 2/20 0.36
CYP19A1 P11511 5/20 0.36
PTPN1 P18031 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B1 P14061 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
YES1 P07947 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35

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
SCHEMBL17403184 0.78 LSS (0.40) MAOBMAOAESR2
SCHEMBL14564420 0.73 CYP19A1 (0.40) MAOBKDM4EALDH1A1CYP19A1CYP3A4
SCHEMBL2676035 0.73 MAOA (0.50) MAOBMAOAKDM4EALDH1A1MIF
SCHEMBL29488786 0.73 MAOB (0.46) MAOBMAOAKDM4EALDH1A1MIF
SCHEMBL14564369 0.70 GAA (0.38) MAOBCYP19A1
SCHEMBL27823378 0.66 MAOB (0.38) MAOBMAOAKDM4EALDH1A1MIF
SCHEMBL9043334 0.66 AKR1B1 (0.40) MAOBKDM4EALDH1A1CYP19A1
SCHEMBL27963598 0.66 MAOA (0.42) MAOBMAOAKDM4EALDH1A1MIF
SCHEMBL28272709 0.65 TSHR (0.37) MAOBKDM4EALDH1A1CYP19A1
SCHEMBL3430194 0.65 PKM (0.37) MAOBKDM4EALDH1A1CYP19A1

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-20160003836-A1 PHOTO OR CHEMOLABILE CONJUGATES FOR MOLECULES DETECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-01-07 US disclosed