SCHEMBL7937502

SCHEMBL7937502

CC1(C(=O)O)C2C=CC(C2)C1C(O)(OCCCCCO)OCCCCCO

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL7937317 0.99 TDP1 (0.37) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL7938267 0.95 TDP1 (0.38) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL7940893 0.86 TDP1 (0.37) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL7929294 0.69 ALDH1A1 (0.36) TDP1ALDH1A1POLBLMNA
SCHEMBL7938603 0.67 ALDH1A1 (0.37) TDP1ALDH1A1POLBKDM4ELMNA
SCHEMBL8614717 0.65 TDP1 (0.46) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL8618809 0.64 TDP1 (0.48) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL7929304 0.63 ALDH1A1 (0.38) TDP1ALDH1A1POLBKDM4ELMNA
SCHEMBL1062711 0.62 TDP1 (0.56) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL5076356 0.62 TDP1 (0.56) TDP1ALDH1A1POLBCTDSP1MEN1

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-6235447-B1 FORMING PATTERN; SEMICONDUCTOR HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2001-05-22 US disclosed