SCHEMBL11724754

SCHEMBL11724754

CC(C)(C)c1ccc(C(=O)c2c(-c3ccc(O)cc3)oc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ EYA3 Q99504 3/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ SLC22A12 Q96S37 1/20 0.54
▸ PTPN1 P18031 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CNR2 P34972 6/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ FTO Q9C0B1 1/20 0.49
▸ CNR1 P21554 3/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL11735403 0.89 L3MBTL1 (0.54) L3MBTL1EYA3CYP2C19SLC22A12PTPN1
SCHEMBL11724757 0.86 EYA3 (0.66) L3MBTL1EYA3CYP2C19SLC22A12PTPN1
SCHEMBL11672912 0.86 EYA3 (0.66) L3MBTL1EYA3CYP2C19SLC22A12PTPN1
SCHEMBL11734608 0.85 L3MBTL1 (0.64) L3MBTL1EYA3CYP2C19SLC22A12PTPN1
SCHEMBL11672355 0.85 L3MBTL1 (0.64) L3MBTL1EYA3CYP2C19SLC22A12PTPN1
SCHEMBL11673100 0.83 L3MBTL1 (0.62) L3MBTL1EYA3CYP2C19SLC22A12PTPN1
SCHEMBL11729109 0.83 L3MBTL1 (0.62) L3MBTL1EYA3CYP2C19SLC22A12PTPN1
SCHEMBL11730698 0.83 L3MBTL1 (0.62) L3MBTL1EYA3CYP2C19SLC22A12PTPN1
SCHEMBL10674000 0.83 L3MBTL1 (0.51) L3MBTL1CNR2MEN1ALDH1A1CYP3A4
SCHEMBL11730706 0.81 EYA3 (0.60) L3MBTL1EYA3CYP2C19SLC22A12PTPN1

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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