SCHEMBL26699178

SCHEMBL26699178

COc1cc2c(cc1OCCCC(=O)O)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.62
TENT4A Q5XG87 1/20 0.62
TENT4B Q8NDF8 1/20 0.62
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL29921035 1.00 CYP2B6 (0.62) CYP2B6TENT4ATENT4BPDE4APDE4B
SCHEMBL26699175 1.00 CYP2B6 (0.62) CYP2B6TENT4ATENT4BPDE4APDE4B
SCHEMBL29920941 0.97 CYP2B6 (0.61) CYP2B6TENT4ATENT4BPDE4APDE4B
SCHEMBL26699196 0.97 CYP2B6 (0.61) CYP2B6TENT4ATENT4BPDE4APDE4B
SCHEMBL26699171 0.97 CYP2B6 (0.61) CYP2B6TENT4ATENT4BPDE4APDE4B
SCHEMBL29920976 0.96 CYP2B6 (0.61) CYP2B6TENT4ATENT4B
SCHEMBL29920773 0.96 CYP2B6 (0.61) CYP2B6TENT4ATENT4B
SCHEMBL29920728 0.96 CYP2B6 (0.61) CYP2B6TENT4ATENT4B
SCHEMBL29920711 0.96 CYP2B6 (0.61) CYP2B6TENT4ATENT4B
SCHEMBL26699176 0.96 CYP2B6 (0.61) CYP2B6TENT4ATENT4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320117-A2 NOVEL HEPATOSELECTIVE POLYADENYLATING POLYMERASES INHIBITORS AND THEIR METHOD OF USE Baruch S. Blumberg Institute (US) 2024-02-14 EP claimed
CN-117279909-A Novel liver selective polyadenylation polymerase inhibitors and methods of use thereof 巴鲁克斯布伦博格研究所 2023-12-22 CN claimed
WO-2023230249-A1 NOVEL HEPATOSELECTIVE POLYADENYLATING POLYMERASES INHIBITORS AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-11-30 WO claimed
WO-2023230249-A1 NOVEL HEPATOSELECTIVE POLYADENYLATING POLYMERASES INHIBITORS AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-11-30 WO disclosed