SCHEMBL8690168

SCHEMBL8690168

O=C(O)CCc1coc2ccc(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR2C P28335 2/20 0.48
SIRT1 Q96EB6 3/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PIM1 P11309 1/20 0.45
MTNR1A P48039 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL8690172 0.88 PIM1 (0.58) ALDH1A1TSHRNPSR1PIM1KDM4E
SCHEMBL8017016 0.86 HTR1A (0.54) HTR1AHTR1DHTR2CSIRT1ALDH1A1
SCHEMBL24938760 0.84 ALOX15 (0.59) SIRT1ALDH1A1TSHRNPSR1PIM1
SCHEMBL2656059 0.83 ALDH1A1 (0.47) HTR1AHTR1DHTR2CALDH1A1MTNR1A
SCHEMBL7432703 0.83 KDM4E (0.47) HTR1AHTR1DHTR2CMTNR1AKDM4E
SCHEMBL7019210 0.82 MTNR1A (0.49) HTR1AHTR1DHTR2CSIRT1MTNR1A
SCHEMBL8695136 0.80 MTNR1A (0.67) ALDH1A1TSHRMTNR1AKMT2ALMNA
SCHEMBL2269511 0.79 MTNR1A (0.51) HTR1AHTR1DHTR2CSIRT1ALDH1A1
SCHEMBL5762073 0.79 MAOB (0.53) KDM4EMAOB
SCHEMBL2267233 0.78 NPC1 (0.49) SIRT1ALDH1A1TSHRNPSR1PIM1

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