SCHEMBL11730706

SCHEMBL11730706

CCCc1ccc(C(=O)c2c(-c3ccc(O)cc3)oc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 3/20 0.60
▸ PTPN1 P18031 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CYP2C9 P11712 3/20 0.59
▸ SLC22A12 Q96S37 1/20 0.58
▸ CYP2C19 P33261 1/20 0.55
▸ CNR2 P34972 10/20 0.55
▸ CNR1 P21554 6/20 0.53
▸ BCHE P06276 3/20 0.53
▸ APP P05067 1/20 0.50

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
SCHEMBL11724757 0.84 EYA3 (0.66) EYA3PTPN1L3MBTL1CYP2C9SLC22A12
SCHEMBL11672912 0.84 EYA3 (0.66) EYA3PTPN1L3MBTL1CYP2C9SLC22A12
SCHEMBL11734608 0.83 L3MBTL1 (0.64) EYA3PTPN1L3MBTL1CYP2C9SLC22A12
SCHEMBL11672355 0.83 L3MBTL1 (0.64) EYA3PTPN1L3MBTL1CYP2C9SLC22A12
SCHEMBL11730698 0.81 L3MBTL1 (0.62) EYA3PTPN1L3MBTL1CYP2C9SLC22A12
SCHEMBL11729109 0.81 L3MBTL1 (0.62) EYA3PTPN1L3MBTL1CYP2C9SLC22A12
SCHEMBL11673100 0.81 L3MBTL1 (0.62) EYA3PTPN1L3MBTL1CYP2C9SLC22A12
SCHEMBL11729825 0.81 APP (0.73) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11724754 0.81 L3MBTL1 (0.62) EYA3PTPN1L3MBTL1CYP2C9SLC22A12
SCHEMBL11840583 0.80 EYA3 (0.85) EYA3PTPN1CYP2C9SLC22A12CYP2C19

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
US-4001426-A HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1977-01-04 — — US disclosed
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