SCHEMBL27601451

SCHEMBL27601451

O=C(Cl)CCCC(=O)C(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 3/20 0.42
CES2 O00748 5/20 0.38
CES1 P23141 5/20 0.38
SLC22A6 Q4U2R8 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
SCHEMBL180666 0.80
SCHEMBL4646589 0.78 CES1 (0.41) ALDH1A1TSHRCES2CES1
SCHEMBL27619970 0.77 ALDH1A1 (0.44) ALDH1A1TP53TSHRCES2CES1
Fluoride SCHEMBL28289185 0.76 ALDH1A1 (0.61) ALDH1A1TP53TSHRSLC22A6
SCHEMBL6057425 0.76 ALDH1A1 (0.61) ALDH1A1TP53TSHRSLC22A6
SCHEMBL4644423 0.76 CES2 (0.43) ALDH1A1TSHRCES2CES1
SCHEMBL4641956 0.76 CAMK2A (0.46) TSHRCES2CES1
SCHEMBL21596212 0.76 ALDH1A1 (0.48) ALDH1A1TP53TSHRCES2CES1
SCHEMBL4644166 0.74 GPR84 (0.46) TSHRCES2CES1
SCHEMBL132364 0.73 TSHR (0.67) ALDH1A1TP53TSHRCES2CES1

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
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN disclosed