SCHEMBL2772277

SCHEMBL2772277

COc1ccc(-c2c(CC(C)O)oc(=O)c3ccccc23)cc1OCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ SMPD1 P17405 3/20 0.37
▸ CHEK1 O14757 2/20 0.37

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 0.93 PDE4A (0.46) KDM4EALDH1A1USP2LMNATSHR
SCHEMBL2773724 0.89 CYP1A1 (0.46) KDM4EALDH1A1USP2LMNATSHR
SCHEMBL2772806 0.86 KDM4E (0.48) KDM4EALDH1A1LMNAHSD17B10PDE4A
SCHEMBL2773020 0.83 KMT2A (0.43) KDM4EALDH1A1TSHRHSD17B10NPC1
SCHEMBL2771444 0.83 SMPD1 (0.42) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL2785396 0.82 KDM4E (0.42) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2772272 0.81 PDE4A (0.54) KDM4EALDH1A1USP2LMNATSHR
SCHEMBL2774638 0.81 TP53 (0.40) KDM4EALDH1A1USP2LMNATSHR
SCHEMBL2771578 0.81 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHSD17B10PDE4A
SCHEMBL2772268 0.80 KMT2A (0.44) KDM4EALDH1A1LMNAHSD17B10PDE4A

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
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