SCHEMBL29952732

SCHEMBL29952732

O=Cc1ccccc1OCC(=O)NC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
HPGD P15428 4/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
LMNA P02545 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
HTT P42858 1/20 0.66
TSHR P16473 2/20 0.64
HSD17B10 Q99714 1/20 0.64
RAB9A P51151 3/20 0.57
NPC1 O15118 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.55

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
SCHEMBL29956687 0.99 HPGD (0.67) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL29952949 0.93 HPGD (0.66) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL2556239 0.87 HPGD (0.55) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL3454970 0.81 HPGD (1.00) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL29957558 0.81 HPGD (0.54) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL2558648 0.81 SMN1; SMN2 (0.70) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL10144821 0.80 TSHR (0.97) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL2753167 0.80 RAB9A (0.81) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL2751080 0.80 KMT2A (0.97) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL2750363 0.80 HPGD (0.97) ALDH1A1HPGDKMT2AMEN1LMNA

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