SCHEMBL29957558

SCHEMBL29957558

O=Cc1ccccc1OCCC(=O)NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.50
MAPT P10636 1/20 0.47
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL29952949 0.87 HPGD (0.66) HPGDSMN1; SMN2HTTALDH1A1PTGDR2
SCHEMBL29951179 0.84 MAPT (0.49) HPGDALDH1A1MAPTCNR1CNR2
SCHEMBL29956687 0.82 HPGD (0.67) HPGDSMN1; SMN2HTTALDH1A1PTGDR2
SCHEMBL15330056 0.82 NPC1 (0.54) HPGDSMN1; SMN2ALDH1A1PTGDR2MAPT
SCHEMBL29957119 0.81 MAPT (0.58) HPGDSMN1; SMN2ALDH1A1MAPTCNR1
SCHEMBL29952732 0.81 ALDH1A1 (0.68) HPGDSMN1; SMN2HTTALDH1A1PTGDR2
SCHEMBL15332318 0.81 KMT2A (0.50) HPGDALDH1A1MAPTCNR1CNR2
SCHEMBL29956379 0.80 MAPT (0.59) HPGDSMN1; SMN2ALDH1A1MAPTCNR1
SCHEMBL15331738 0.80 ALDH1A1 (0.61) HPGDSMN1; SMN2HTTALDH1A1PTGDR2
SCHEMBL2556239 0.79 HPGD (0.55) HPGDSMN1; SMN2HTTALDH1A1PTGDR2

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