SCHEMBL6162870

SCHEMBL6162870

O=C(c1ccc(C#Cc2ccccc2)cc1)c1ccccc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.53
SRD5A2 P31213 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HPSE Q9Y251 1/20 0.44
FFAR1 O14842 1/20 0.44
ELANE P08246 1/20 0.43
RAB9A P51151 1/20 0.43
TTR P02766 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STS P08842 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8837165 0.90 MAPT (0.47) CTNNB1SRD5A2SMN1; SMN2FFAR1ELANE
SCHEMBL8746846 0.89 CTNNB1 (0.65) CTNNB1SRD5A2SMN1; SMN2HPSEELANE
SCHEMBL29575432 0.89 CTNNB1 (0.65) CTNNB1SRD5A2SMN1; SMN2HPSEELANE
SCHEMBL6160821 0.87 MAOB (0.44) CTNNB1SMN1; SMN2HPSEFFAR1RAB9A
SCHEMBL10448654 0.85 SRD5A2 (0.62) CTNNB1SRD5A2SMN1; SMN2HPSEELANE
SCHEMBL4631035 0.85 CTNNB1 (0.65) CTNNB1SRD5A2SMN1; SMN2HPSEELANE
SCHEMBL8586968 0.84 MAPT (0.49) CTNNB1SMN1; SMN2FFAR1ELANERAB9A
Benzophenone SCHEMBL28468666 0.84 CTNNB1 (0.62) CTNNB1SRD5A2SMN1; SMN2ELANERAB9A
SCHEMBL7976723 0.83 CTNNB1 (0.57) CTNNB1SRD5A2SMN1; SMN2HPSEELANE
SCHEMBL9419499 0.82 SRD5A2 (0.58) CTNNB1SRD5A2ELANERAB9ALMNA

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-0842212-B1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NASA (US) 2005-02-16 EP 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-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