SCHEMBL9302259

SCHEMBL9302259

CCCCCCCCCCCCCCCCC(=Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 1/20 0.64
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
ALOX5 P09917 2/20 0.53
PTGES O14684 1/20 0.53
PPARG P37231 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
APEX1 P27695 2/20 0.52
RECQL P46063 1/20 0.47
EGFR P00533 1/20 0.47
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL5467262 1.00 TDP1 (0.67) TDP1LMNACES2CES1ALOX5
SCHEMBL6437828 1.00 TDP1 (0.67) TDP1LMNACES2CES1ALOX5
SCHEMBL27679125 1.00 TDP1 (0.67) TDP1LMNACES2CES1ALOX5
SCHEMBL3250732 1.00 TDP1 (0.67) TDP1LMNACES2CES1ALOX5
SCHEMBL489897 1.00 TDP1 (0.67) TDP1LMNACES2CES1ALOX5
SCHEMBL5467260 1.00 TDP1 (0.67) TDP1LMNACES2CES1ALOX5
SCHEMBL3684325 1.00 TDP1 (0.67) TDP1LMNACES2CES1ALOX5
SCHEMBL17629135 0.98 LMNA (0.66) TDP1LMNACES2CES1ALOX5
SCHEMBL17629136 0.98 LMNA (0.66) TDP1LMNACES2CES1ALOX5
SCHEMBL28271475 0.98 LMNA (0.66) TDP1LMNACES2CES1ALOX5

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-5279759-A Soap blend HENKEL CORPORATION (US) 1994-01-18 US disclosed