SCHEMBL8668351

SCHEMBL8668351

O=C(CC=CI)Nc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.53
▸ MAOB P27338 2/20 0.49
▸ PSMB11 A5LHX3 3/20 0.48
▸ PSMA7 O14818 3/20 0.48
▸ PSMB1 P20618 3/20 0.48
▸ PSMA1 P25786 3/20 0.48
▸ PSMA2 P25787 3/20 0.48
▸ PSMA3 P25788 3/20 0.48
▸ PSMA4 P25789 3/20 0.48
▸ PSMB8 P28062 3/20 0.48
▸ PSMB9 P28065 3/20 0.48
▸ PSMA5 P28066 3/20 0.48
▸ PSMB4 P28070 3/20 0.48
▸ PSMB6 P28072 3/20 0.48
▸ PSMB5 P28074 3/20 0.48
▸ PSMB10 P40306 3/20 0.48
▸ PSMB3 P49720 3/20 0.48
▸ PSMB2 P49721 3/20 0.48
▸ PSMA6 P60900 3/20 0.48
▸ PSMA8 Q8TAA3 3/20 0.48

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
SCHEMBL15691256 0.84 CYP1A1 (0.51) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL7890748 0.79 CYP1A1 (0.55) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL10865344 0.76 CYP1A1 (0.60) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL6832724 0.76 CYP1A1 (0.71) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL27937384 0.76 CYP1A1 (0.84) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL14075487 0.75 MAPT (0.65) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL4337756 0.75 PEPD (0.63) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL1929307 0.74 CYP1A1 (0.62) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL10016246 0.73 POLB (0.59) CYP1A1MAOBPSMB11PSMA7PSMB1
SCHEMBL3659521 0.72 CA1 (0.61) CYP1A1MAOBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767778-B1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL beta ADRENERGIC RECEPTOR MARKERS AND AS beta-BLOCKING AGENTS CIS BIO INT (FR) 1998-12-16 — — EP disclosed
EP-0767778-A1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL $g(b) ADRENERGIC RECEPTOR MARKERS AND AS $g(b)-BLOCKING AGENTS CIS BIO INTERNATIONAL (FR) 1997-04-16 — — EP disclosed
WO-1996000717-A1 1-PHENOXY-3-N-ALKYLAMINOPROPAN-2-OL HALOGEN DERIVATIVES USEFUL AS MYOCARDIAL β ADRENERGIC RECEPTOR MARKERS AND AS β-BLOCKING AGENTS CIS BIO INTERNATIONAL (FR) 1996-01-11 — — WO disclosed
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