SCHEMBL8690388

SCHEMBL8690388

COc1ccc2c(CCCC(=O)O)coc2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.51
KDM4E B2RXH2 3/20 0.51
MTNR1A P48039 3/20 0.51
MTNR1B P49286 2/20 0.51
LCK P06239 1/20 0.51
NQO2 P16083 1/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL8695135 0.92 POLB (0.57) MAPTTDP1POLBKDM4EMTNR1A
SCHEMBL8690384 0.90 MTNR1A (0.64) POLBMTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8695223 0.90 MTNR1A (0.56) MAPTTDP1KDM4EMTNR1AMTNR1B
SCHEMBL204937 0.83 MAPT (0.67) MAPTTDP1KDM4ELCKALDH1A1
SCHEMBL8019040 0.83 MTNR1A (0.55) MAPTTDP1KDM4EMTNR1AMTNR1B
SCHEMBL8695136 0.81 MTNR1A (0.67) POLBMTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL25320268 0.81 MTNR1A (0.66) MAPTTDP1KDM4EMTNR1AMTNR1B
SCHEMBL4131741 0.80 PIN1 (0.54) MAPTTDP1KDM4EMTNR1AMTNR1B
SCHEMBL8006826 0.79 MTNR1A (0.64) MTNR1AMTNR1BNQO2ALDH1A1TSHR
SCHEMBL23188008 0.78 CYP11B1 (0.57) MAPTTDP1KDM4EALDH1A1GAA

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-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 US disclosed