SCHEMBL7982729

SCHEMBL7982729

CC(CCc1ccccc1)OC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.56
▸ STAT3 P40763 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ LMNA P02545 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GALR3 O60755 1/20 0.47
▸ CTNNB1 P35222 1/20 0.46
▸ WNT3A P56704 1/20 0.46
▸ YTHDC1 Q96MU7 1/20 0.46
▸ MAPK10 P53779 1/20 0.46

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
SCHEMBL7351475 0.79 NPC1 (0.73) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL7351471 0.78 KDM4E (0.62) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL7349349 0.78 KDM4E (0.66) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL7982730 0.76 NPC1 (0.68) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL22284877 0.76 KDM4E (0.62) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL6599812 0.75 KDM4E (0.70) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL928139 0.74 KDM4E (0.72) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL7348325 0.73 KDM4E (0.56) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL4603661 0.73 KDM4E (0.60) KDM4ESTAT3HIF1ASMN1; SMN2NPC1
SCHEMBL29805260 0.72 KDM4E (1.00) KDM4ESTAT3HIF1ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 — — US disclosed
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
Send feedback