SCHEMBL29952950

SCHEMBL29952950

O=Cc1ccccc1OCC(=O)NCC1CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.56
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
FAAH O00519 7/20 0.48
ACHE P22303 7/20 0.48
BCHE P06276 4/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
LMNA P02545 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.44
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SRC P12931 1/20 0.43
POLB P06746 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
SCHEMBL29955253 0.83 HPGD (0.59) HPGDALDH1A1FAAHACHENPC1
SCHEMBL2556936 0.82 FAAH (0.50) HPGDPTGDR2ALDH1A1SMN1; SMN2FAAH
SCHEMBL2559400 0.82 SMN1; SMN2 (0.67) HPGDALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL29952949 0.81 HPGD (0.66) HPGDPTGDR2ALDH1A1SMN1; SMN2HTT
SCHEMBL8470135 0.81 PTGDR2 (0.46) HPGDPTGDR2ALDH1A1SMN1; SMN2HTT
SCHEMBL29956370 0.80 KDM4E (0.61) HPGDALDH1A1SMN1; SMN2FAAHACHE
SCHEMBL29950755 0.80 HPGD (0.53) HPGDALDH1A1SMN1; SMN2FAAHACHE
SCHEMBL29955221 0.80 PTGDR2 (0.62) HPGDPTGDR2ALDH1A1SMN1; SMN2HTT
SCHEMBL2555999 0.80 HPGD (0.52) HPGDALDH1A1SMN1; SMN2FAAHACHE
SCHEMBL18584928 0.80 HPGD (0.61) HPGDALDH1A1SMN1; SMN2HTTFAAH

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