SCHEMBL8837162

SCHEMBL8837162

Nc1ccccc1Oc1ccc(C(=O)c2ccc(C#Cc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.47
FFAR1 O14842 1/20 0.45
IKBKB O14920 2/20 0.44
BRAF P15056 1/20 0.44
GAA P10253 2/20 0.43
RCE1 Q9Y256 1/20 0.43
PARP10 Q53GL7 2/20 0.42
HAO1 Q9UJM8 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
STS P08842 1/20 0.41
ELANE P08246 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL6161199 0.88 STS (0.46) SRD5A2GAARCE1PARP10LMNA
SCHEMBL30926159 0.88 SRD5A2 (0.55) SRD5A2IKBKBBRAFGAARCE1
SCHEMBL30926160 0.88 SRD5A2 (0.55) SRD5A2IKBKBBRAFGAARCE1
SCHEMBL10949549 0.88 SRD5A2 (0.55) SRD5A2IKBKBBRAFGAARCE1
SCHEMBL18159036 0.85 SRD5A2 (0.65) SRD5A2FFAR1GAAPARP10HAO1
SCHEMBL8586968 0.84 MAPT (0.49) FFAR1GAAMAPTPOLBSTS
SCHEMBL8837213 0.84 MAPT (0.56) SRD5A2FFAR1GAAPARP10HAO1
SCHEMBL9135237 0.83 SRD5A2 (0.68) SRD5A2FFAR1GAAPARP10HAO1
SCHEMBL8837165 0.82 MAPT (0.47) SRD5A2FFAR1GAAPARP10HAO1
SCHEMBL6162870 0.79 CTNNB1 (0.53) SRD5A2FFAR1HAO1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599993-A USED FOR ENDCAPPING POLYIMIDES WITH EXCELLENT SOLVENT AND CHEMICAL RESISTANCE, HIGH STRENGTH AND MODULUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-04 US disclosed
US-5599993-A USED FOR ENDCAPPING POLYIMIDES WITH EXCELLENT SOLVENT AND CHEMICAL RESISTANCE, HIGH STRENGTH AND MODULUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-04 US disclosed
US-5412066-A Adhesives THER UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-05-02 US disclosed
US-5412066-A Adhesives THER UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-05-02 US disclosed