SCHEMBL29952409

SCHEMBL29952409

CCOc1ccc2[nH]c(C3CCCCC3)c(C=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HSD17B10 Q99714 5/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 3/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.43
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
RAD52 P43351 1/20 0.41
MAPT P10636 1/20 0.41
ESR2 Q92731 1/20 0.41
S1PR1 P21453 2/20 0.40
MAPKAPK2 P49137 2/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL29953259 0.94 KDM4E (0.48) MTNR1AMTNR1BHSD17B10KDM4EKMT2A
SCHEMBL29951013 0.86 MTNR1A (0.55) MTNR1AMTNR1BHSD17B10KDM4EKMT2A
SCHEMBL1429356 0.86 MTNR1A (0.55) MTNR1AMTNR1BHSD17B10KDM4EKMT2A
SCHEMBL1428728 0.85 MTNR1A (0.54) MTNR1AMTNR1BHSD17B10KDM4EKMT2A
SCHEMBL1428978 0.84 MTNR1A (0.52) MTNR1AMTNR1BHSD17B10KDM4EKMT2A
SCHEMBL29957756 0.80 ALDH1A1 (0.50) MTNR1AMTNR1BHSD17B10KDM4EKMT2A
SCHEMBL3223692 0.80 ALDH1A1 (0.50) MTNR1AMTNR1BHSD17B10KDM4EKMT2A
SCHEMBL29957489 0.80 SIRT1 (0.46) MTNR1AMTNR1BHSD17B10KDM4EKMT2A
SCHEMBL10939480 0.77 KDM4E (0.57) HSD17B10KDM4EKMT2AALDH1A1MEN1
SCHEMBL15331776 0.77 KDM4E (0.42) MTNR1AMTNR1BKDM4EKMT2AMEN1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed