SCHEMBL31322006

SCHEMBL31322006

COc1cc2c(c(O)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 1.00
▸ ELANE P08246 4/20 0.49
▸ PIM1 P11309 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39

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
SCHEMBL16226754 1.00 EPHX2 (1.00) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL29396060 1.00 EPHX2 (1.00) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL27927334 0.93 EPHX2 (0.86) EPHX2ELANEPIM1ALDH1A1CYP1A2
Chrysoobtusin SCHEMBL16226057 0.93 EPHX2 (1.00) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL16932396 0.88 EPHX2 (0.81) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL16226676 0.88 EPHX2 (0.86) EPHX2ELANEPIM1ALDH1A1CYP1A2
Aurantioobtusin SCHEMBL3189231 0.87 EPHX2 (0.76) EPHX2ELANEPIM1ALDH1A1MAPT
Aurantioobtusin SCHEMBL30643536 0.87 EPHX2 (0.76) EPHX2ELANEPIM1ALDH1A1MAPT
SCHEMBL28518188 0.84 EPHX2 (0.87) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL16226235 0.82 EPHX2 (0.76) EPHX2ELANEPIM1ALDH1A1MAPT

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-119033999-A Composition containing titanium dioxide nanotubes and application of composition in preparation of product for promoting osteoblast bone maturation 许隽松 2024-11-29 — — CN disclosed
Send feedback