SCHEMBL28973531

SCHEMBL28973531

CCCCC(CC)CC(CC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.50
CA1 P00915 4/20 0.50
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.39
CPB2 Q96IY4 1/20 0.39

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
SCHEMBL2894772 0.93 CA2 (0.50) CA2CA1CYP3A4TSHRTDP1
SCHEMBL5081765 0.85 CA2 (0.46) CA2CA1CYP3A4TSHRTDP1
SCHEMBL4846583 0.84 CYP3A4 (0.64) CA2CA1CYP3A4TSHRTDP1
SCHEMBL183036 0.84 CYP3A4 (0.50) CA2CA1CYP3A4TSHRTDP1
SCHEMBL17617127 0.83 CA2 (0.70) CA2CA1CYP3A4TSHRTDP1
SCHEMBL332831 0.83 CA2 (0.70) CA2CA1CYP3A4TSHRTDP1
SCHEMBL17617151 0.83 CA2 (0.70) CA2CA1CYP3A4TSHRTDP1
SCHEMBL13889051 0.82 CYP3A4 (0.49) CA2CA1CYP3A4TSHRTDP1
SCHEMBL26622845 0.82 CA2 (0.50) CA2CA1CYP3A4TSHRTDP1
SCHEMBL15880449 0.81 CA2 (0.68) CA2CA1CYP3A4TSHRTDP1

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
CN-115701970-A Method for producing a personalized cosmetic preparation 巴斯夫欧洲公司 2023-02-14 CN disclosed