SCHEMBL28746550

SCHEMBL28746550

CCCC1CCC(O)CC1.OCC1(CO)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL10592727 0.82
SCHEMBL8610490 0.81
SCHEMBL4602788 0.79 SHBG (0.42) CYP1A2CA1CA2CA4
SCHEMBL9593814 0.79 SHBG (0.42) CYP1A2CA1CA2CA4
SCHEMBL527613 0.79 SHBG (0.42) CYP1A2CA1CA2CA4
SCHEMBL10680155 0.77 SHBG (0.41) CYP1A2CA1CA2CA4
SCHEMBL10680152 0.77 SHBG (0.41) CYP1A2CA1CA2CA4
SCHEMBL9013342 0.76 CYP1A2 (0.43) CYP1A2
SCHEMBL4843036 0.75 CYP1A2 (0.48) CYP1A2CA1CA2CA4
SCHEMBL4845326 0.75 CYP1A2 (0.43) CYP1A2CA1CA2CA4

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-114541141-A Polymerizable composition for bonding fiber units 鲁道夫有限公司 2022-05-27 CN disclosed