SCHEMBL8618809

SCHEMBL8618809

CC1(C(=O)O)C2C=CC(C2)C1CCC1C2C=CC(C2)C1(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
CTDSP1 Q9GZU7 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.32
FFAR3 O14843 1/20 0.31

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
SCHEMBL8614717 0.93 TDP1 (0.46) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL1062711 0.76 TDP1 (0.56) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL17652072 0.76 TDP1 (0.56) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL5076356 0.76 TDP1 (0.56) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL11611684 0.72 KDM4E (0.44) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL10842760 0.71 TDP1 (0.42) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL11605001 0.70 KDM4E (0.36) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL10388139 0.70 TDP1 (0.41) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL2477133 0.69 TDP1 (0.40) TDP1ALDH1A1POLBCTDSP1MEN1
SCHEMBL20346213 0.68 TDP1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35717-E NONPOLAR AND POLAR CYCLOOLEFINS, ACTIVATOR AND CATALYST, HIGH MODULUS AND IMPACT STRENGTH METTON AMERICA, INC. (US) 1998-01-20 US claimed
US-4689380-A DICYCLOPENTADIENE-NORBORNENE ESTER, TUNGSTEN CATALYST, ALUMINUM ACTIVATOR HERCULES INCORPORATED (US) 1987-08-25 US claimed