SCHEMBL9730813

SCHEMBL9730813

CCCCC(CC)C/C(=C\C(=O)O)C(=O)O.CCCCC(CC)C/C(=C\C(=O)O)C(=O)O.[Zn]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
GRIK1 P39086 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 1/20 0.34
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL9481495 1.00 CA2 (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL9480726 1.00 CA2 (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL2250221 0.98 CA2 (0.43) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL9193145 0.98 CA2 (0.43) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL183765 0.98 CA2 (0.43) CA2ALDH1A1TSHRCYP3A4TDP1
Ammonia Solution, Strong SCHEMBL9436348 0.97 CA2 (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
Ammonia Solution, Strong SCHEMBL9436342 0.97 CA2 (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
Hydrochloric Acid SCHEMBL5666403 0.97 CA2 (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
Hydrochloric Acid SCHEMBL5666406 0.97 CA2 (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
Ammonia Solution, Strong SCHEMBL9436344 0.97 CA2 (0.42) CA2ALDH1A1TSHRCYP3A4TDP1

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-5159035-A Addition polymerization in oil phase THE DOW CHEMICAL COMPANY (US) 1992-10-27 US disclosed