SCHEMBL6161199

SCHEMBL6161199

Nc1ccccc1Oc1cccc(C(=O)c2ccc(C#Cc3ccccc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PBRM1 Q86U86 1/20 0.43
SRD5A2 P31213 2/20 0.42
AKR1C3 P42330 1/20 0.42
F10 P00742 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RCE1 Q9Y256 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
TNKS O95271 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40

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
SCHEMBL8837162 0.88 SRD5A2 (0.47) STSGAAALDH1A1SRD5A2L3MBTL1
SCHEMBL8837239 0.88 GAA (0.46) STSGAAALDH1A1PBRM1SRD5A2
SCHEMBL27956989 0.81 STS (0.52) STSGAAALDH1A1PBRM1SRD5A2
SCHEMBL27750619 0.80 AKR1C3 (0.67) GAAALDH1A1AKR1C3F10RCE1
SCHEMBL8586968 0.79 MAPT (0.49) STSGAAALDH1A1POLB
SCHEMBL6160821 0.79 MAOB (0.44) STSGAAPBRM1F10
SCHEMBL3402554 0.78 MAOB (0.57) ALDH1A1PBRM1SRD5A2AKR1C3L3MBTL1
SCHEMBL6898478 0.78 MAOB (0.57) GAAALDH1A1PBRM1SRD5A2AKR1C3
SCHEMBL12262025 0.78 PGR (0.55) STSSRD5A2AKR1C3L3MBTL1POLB
SCHEMBL3645145 0.77 SRD5A2 (0.53) STSALDH1A1PBRM1SRD5A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288209-B1 TERMINATION, ENDCAPPING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-09-11 US claimed
US-6133401-A STABILIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2000-10-17 US claimed
US-5644022-A ENDCAPPING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMNINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-07-01 US claimed
EP-0842212-B1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NASA (US) 2005-02-16 EP disclosed
US-6288209-B1 TERMINATION, ENDCAPPING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-09-11 US disclosed
US-6288209-B1 TERMINATION, ENDCAPPING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-09-11 US disclosed
US-6133401-A STABILIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2000-10-17 US disclosed
US-6133401-A STABILIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2000-10-17 US disclosed
US-5689004-A CONTROLLED MOLECULAR WEIGHT IMIDE OLIGOMERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-11-18 US disclosed
US-5644022-A ENDCAPPING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMNINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-07-01 US disclosed
US-5644022-A ENDCAPPING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMNINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-07-01 US disclosed
US-5606014-A MOLECULAR WEIGHT CONTROL; CYCLODEHYDRATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-25 US disclosed