SCHEMBL31032811

SCHEMBL31032811

COc1cnc(O)c(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DPP4 P27487 1/20 0.37
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
F2 P00734 1/20 0.35
GLA P06280 1/20 0.35
MTNR1B P49286 4/20 0.35
MTNR1A P48039 3/20 0.35
CBFB Q13951 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL28483675 0.82 DPP4 (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL19330145 0.81 CYP11B1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL31032826 0.81 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL30701196 0.81 CYP11B1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL29190472 0.79 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL31119060 0.79 PDK2 (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20565731 0.79 ALDH1A1 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5164798 0.74 CA12 (0.41) ALDH1A1HPGDF2GLA
SCHEMBL6183995 0.74 CYP3A4 (0.41) ALDH1A1CYP11B1CYP11B2HPGDF2
SCHEMBL1100031 0.73 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4660182-A1 NAV1.7- AND/OR NAV1.8-INHIBITING ARYL PYRIDINE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS Eurofarma Laboratórios S.A. (BR) 2025-12-10 EP disclosed
CN-118724916-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed
WO-2024159285-A1 NAV1.7- AND/OR NAV1.8-INHIBITING ARYL PYRIDINE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2024-08-08 WO disclosed