SCHEMBL11323409

SCHEMBL11323409

O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1C(=O)Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ELANE P08246 1/20 0.43
ACMSD Q8TDX5 2/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DHODH Q02127 1/20 0.42
HAO1 Q9UJM8 1/20 0.41

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
SCHEMBL9769792 0.89 CASP1 (0.48) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL3737608 0.86 KMT2A (0.56) ALDH1A1SMN1; SMN2POLBMAPTELANE
SCHEMBL1790370 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL248211 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBHTTMAPT
SCHEMBL238310 0.81 HDAC8 (0.49) ALDH1A1SMN1; SMN2POLBHTTMAPT
SCHEMBL7510922 0.80 HAO1 (0.49) ALDH1A1SMN1; SMN2POLBHTTMAPT
SCHEMBL1788443 0.79 HSD17B10 (0.51) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL30091431 0.79 HSD17B10 (0.51) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL6835910 0.79 ELANE (0.67) ALDH1A1SMN1; SMN2POLBHTTMAPT
SCHEMBL6813640 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTMAPTHPGD

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-4259225-A STORAGE STABILITY DAINIPPON INK & CHEMICALS, INC. (JP) 1981-03-31 US disclosed