SCHEMBL29123796

SCHEMBL29123796

C=CCC(O)c1c(Br)cc(Br)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
ERN1 O75460 1/20 0.31

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
SCHEMBL7786052 0.74 CYP3A4 (0.40) CYP3A4TSHRTDP1ALOX15GABRA1
SCHEMBL16684492 0.73 HPGD (0.33) CYP3A4ALOX15
SCHEMBL7152624 0.72 TDP1 (0.39) CYP3A4TSHRTDP1ALOX15GABRA1
SCHEMBL10824436 0.71 TSHR (0.37) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL5153023 0.71 HRH3 (0.44)
SCHEMBL15184685 0.71 HRH3 (0.44)
SCHEMBL13662800 0.71 HRH3 (0.44)
SCHEMBL1971815 0.69 LMNA (0.30)
SCHEMBL933432 0.68 SLC18A3 (0.41) CYP3A4
SCHEMBL3234624 0.68 SLC6A2 (0.36)

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-116554057-B Compounds for reducing Erythropoietin (EPO) production and uses thereof 杭州安道药业有限公司 2023-12-15 CN disclosed
CN-116554057-A Compounds for reducing Erythropoietin (EPO) production and uses thereof 杭州安道药业有限公司 2023-08-08 CN disclosed