SCHEMBL7903224

SCHEMBL7903224

CCOCC(c1cccc(OCC)c1)n1nc(C(=O)O)c2c1-c1ccc(OCc3cncnc3)cc1CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ ROCK2 O75116 3/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ITGB3 P05106 4/20 0.32
▸ ITGA2B P08514 4/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ KLF5 Q13887 1/20 0.32

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
SCHEMBL7911578 0.94 BCL2 (0.35) CYP19A1CYP11B1CYP11B2ROCK2MRGPRX4
SCHEMBL7911557 0.94 FFAR1 (0.35) CYP19A1CYP11B1CYP11B2ROCK2MRGPRX4
SCHEMBL1150210 0.93 ROCK2 (0.34) CYP19A1CYP11B1CYP11B2ROCK2MRGPRX4
SCHEMBL29922027 0.93 ROCK2 (0.34) CYP19A1CYP11B1CYP11B2ROCK2MRGPRX4
SCHEMBL7917122 0.93 ROCK2 (0.34) CYP19A1CYP11B1CYP11B2ROCK2MRGPRX4
SCHEMBL7913240 0.93 ROCK2 (0.34) CYP19A1CYP11B1CYP11B2ROCK2MRGPRX4
SCHEMBL7913269 0.89 ROCK2 (0.34) CYP19A1CYP11B1CYP11B2ROCK2MRGPRX4
SCHEMBL7917118 0.86 ROCK2 (0.34) CYP19A1CYP11B1CYP11B2ROCK2TP53
SCHEMBL795594 0.85 ROCK2 (0.34) CYP19A1CYP11B1CYP11B2ROCK2MRGPRX4
SCHEMBL7913410 0.85 FFAR1 (0.36) ROCK2FFAR1CYP2C9HCAR2

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-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 — — US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 — — EP disclosed
Send feedback