SCHEMBL17403184

SCHEMBL17403184

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.40
TSHR P16473 1/20 0.38
MAPK14 Q16539 1/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
FFAR1 O14842 4/20 0.35
ABL1 P00519 1/20 0.35
PPARA Q07869 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL13264467 0.81 PTPN11 (0.46) TSHRMAOBMAOAPPARGPPARD
SCHEMBL29409545 0.71 MAOB (0.67) MAPK14MAOBMAOACA12CA1
SCHEMBL4210087 0.71 MAOB (0.55) MAOBMAOAFFAR1
SCHEMBL4206758 0.71 MAOB (0.52) MAOBMAOA
SCHEMBL4211790 0.67 MAOB (0.54) MAOBMAOA
SCHEMBL4211558 0.67 MAOB (0.57) MAOBMAOA
SCHEMBL7153441 0.66 POLB (0.56)
SCHEMBL5858887 0.65 HSD17B10 (0.59) TSHRMAPK14MAOBMAOACA12
SCHEMBL4321060 0.65 MAOB (0.68) TSHRMAOBMAOA
SCHEMBL4328943 0.65 MAOB (0.68) TSHRMAOBMAOA

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