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SCHEMBL8545998

SCHEMBL8545998

CC(=O)C1(C)CC2=C(CCCC2(C)C)CC1C.CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ POLB P06746 1/20 0.36
▸ MCL1 Q07820 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CCR6 P51684 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17627724 0.83 ALDH1A1 (1.00) ALDH1A1TDP1POLBMCL1LMNA
SCHEMBL8607770 0.83 ALDH1A1 (1.00) ALDH1A1TDP1POLBMCL1LMNA
SCHEMBL14001694 0.83 ALDH1A1 (1.00) ALDH1A1TDP1POLBMCL1LMNA
SCHEMBL111407 0.83 ALDH1A1 (1.00) ALDH1A1TDP1POLBMCL1LMNA
SCHEMBL19924617 0.83 ALDH1A1 (1.00) ALDH1A1TDP1POLBMCL1LMNA
SCHEMBL22122554 0.74 CA1 (0.30) —
SCHEMBL7132740 0.73 ALDH1A1 (0.73) ALDH1A1TDP1POLBMCL1LMNA
SCHEMBL3505752 0.73 ALDH1A1 (0.78) ALDH1A1TDP1POLBMCL1LMNA
SCHEMBL19180251 0.69 ALDH1A1 (0.70) ALDH1A1TDP1POLBMCL1LMNA
SCHEMBL8229639 0.68 ALDH1A1 (0.63) ALDH1A1TDP1POLBMCL1LMNA

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
EP-0905115-A1 Method for making acetal compounds THE PROCTER & GAMBLE COMPANY (US) 1999-03-31 — — EP disclosed