SCHEMBL29065673

SCHEMBL29065673

CCCCCBr.CCCCCCCCC1CCCOC(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
EPHX1 P07099 1/20 0.42
PPARG P37231 2/20 0.42
ALDH1A1 P00352 1/20 0.38
GRM2 Q14416 7/20 0.36
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL30644213 0.93 CYP1A2 (0.57) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL29065661 0.85 CYP1A2 (0.58) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL29065659 0.84 CYP1A2 (0.49) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL15654842 0.84 CYP1A2 (0.60) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL15656524 0.82 CYP1A2 (0.57) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL13058166 0.77 CYP1A2 (0.54) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL19283429 0.77 CYP1A2 (0.54) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL5598322 0.77 CYP1A2 (0.54) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL17265372 0.77 CYP1A2 (0.54) CYP1A2EPHX1PPARGALDH1A1GRM2
SCHEMBL15657730 0.77 CYP1A2 (0.50) CYP1A2EPHX1PPARGGRM2

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-116685332-A Nanomaterial comprising carbonate 比姆医疗股份有限公司 2023-09-01 CN disclosed