SCHEMBL21550103

SCHEMBL21550103

C=C(C)Cc1cc(OC)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
ESR1 P03372 1/20 0.44
CYP19A1 P11511 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL11706225 0.86 POLB (0.57) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL8772666 0.82 MTNR1A (0.57) MTNR1AMTNR1BGAAALDH1A1KDM4E
SCHEMBL4081034 0.80 MTNR1A (0.55) MTNR1AMTNR1BGAAALDH1A1KDM4E
SCHEMBL22284793 0.79 GAA (0.50) MTNR1AMTNR1BGAAALDH1A1KDM4E
SCHEMBL51653 0.79 GAA (0.53) MTNR1AMTNR1BGAAALDH1A1KDM4E
SCHEMBL13186651 0.79 APLNR (0.56) MTNR1AMTNR1BALDH1A1MEN1MAPT
SCHEMBL6035932 0.79 HSD17B10 (0.70) MTNR1AMTNR1BGAAALDH1A1KDM4E
SCHEMBL4034916 0.77 MTNR1A (0.56) MTNR1AMTNR1BGAAALDH1A1KDM4E
SCHEMBL24187388 0.77 ALDH1A1 (0.49) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL805304 0.77 MTNR1A (0.55) MTNR1AMTNR1BGAAALDH1A1KDM4E

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-2019214749-A1 METHOD FOR SYNTHESIZING BENZOFURAN DERIVATIVE BY MEANS OF NON-METAL LEWIS ACID CATALYZING ADDITION OF C-O BOND WITHIN OLEFIN MOLECULE 南京晓庄学院 (CN) 2019-11-14 WO disclosed