SCHEMBL2773724

SCHEMBL2773724

COc1cc(-c2c(CC(C)O)oc(=O)c3ccccc23)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ELANE P08246 1/20 0.44
▸ ABCB1 P08183 2/20 0.43
▸ HPGD P15428 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41

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
SCHEMBL2771247 0.96 PDE4A (0.46) CYP1A1CYP1A2ALDH1A1KDM4ETSHR
SCHEMBL2774638 0.92 TP53 (0.40) CYP1A1CYP1A2ALDH1A1KDM4ETSHR
SCHEMBL2772806 0.90 KDM4E (0.48) ALDH1A1KDM4EHSD17B10LMNAABCB1
SCHEMBL2785396 0.89 KDM4E (0.42) CYP1A1CYP1A2KDM4ESMN1; SMN2MAPT
SCHEMBL2772277 0.89 KDM4E (0.45) CYP1A1CYP1A2ALDH1A1KDM4ETSHR
SCHEMBL2771578 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10LMNAABCB1
SCHEMBL2786982 0.87 PDE4D (0.41) CYP1A1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2773803 0.86 PDE4A (0.41) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL2772268 0.85 KMT2A (0.44) CYP1A2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL2771452 0.85 PDE4A (0.52) CYP1A1CYP1A2PDE4APDE4BPDE4C

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
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 — — WO disclosed
Send feedback