SCHEMBL16561441

SCHEMBL16561441

C#CCOc1ccc(C(=O)c2ccc(Sc3ccc(C(=O)C(C)(C)[SH](=O)=O)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.42
▸ SCD O00767 2/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ PPARA Q07869 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ GBA2 Q9HCG7 1/20 0.35
▸ GSTP1 P09211 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ELANE P08246 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL16561518 0.80 GAA (0.51) CYP19A1SCDCHRNB2CHRNB4CHRNA3
SCHEMBL12517362 0.76 CYP19A1 (0.59) CYP19A1SCDCHRNB2CHRNB4CHRNA3
SCHEMBL16561482 0.74 CHRNB2 (0.47) CYP19A1SCDCHRNB2CHRNB4CHRNA3
SCHEMBL25960519 0.73 CYP19A1 (0.57) CYP19A1SCDCHRNB2CHRNB4CHRNA3
SCHEMBL14901648 0.72 ALDH1A1 (0.53) CYP19A1SCDCHRNB2CHRNB4CHRNA3
SCHEMBL12516200 0.71 CYP19A1 (0.54) CYP19A1SCDCHRNB2CHRNB4CHRNA3
SCHEMBL11529553 0.71 GAA (0.60) CYP19A1SCDCHRNB2CHRNB4CHRNA3
SCHEMBL16701110 0.71 SRD5A2 (0.57) CYP19A1SCDGSTP1CA12CA1
SCHEMBL14901649 0.70 TP53 (0.54) CYP19A1KMT2ASMN1; SMN2HPGDMAOB
SCHEMBL16364112 0.70 CYP19A1 (0.53) CYP19A1SCDCHRNB2CHRNB4CHRNA3

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
WO-2015031927-A1 PHOTOINITIATOR DURST PHOTOTECHNIK DIGITAL TECHNOLOGY GMBH (AT) 2015-03-12 — — WO disclosed
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