SCHEMBL21160945

SCHEMBL21160945

CC(=O)NC(C)(C)Cc1ccc(CC(C)(C)NC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.59
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
RECQL P46063 2/20 0.44
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
MMP8 P22894 1/20 0.41
BLM P54132 1/20 0.40
ESR1 P03372 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3640956 0.92 ACACB (0.54) ACACBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL564817 0.92 ACACB (0.57) ACACBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8384266 0.91 KDM4E (0.53) ACACBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL255803 0.91 ACACB (0.52) ACACBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6621894 0.91 ACACB (0.52) ACACBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6514301 0.90 ALDH1A1 (0.65) ACACBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11846076 0.88 ACACB (0.50) ACACBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL16341200 0.88 ACACB (0.60) ACACBMEN1KMT2AL3MBTL1
SCHEMBL564559 0.88 ACACB (0.50) ACACBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6501640 0.87 ACACB (0.49) ACACBALDH1A1CYP3A4CYP2C9CYP2C19

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
US-20230002631-A1 WATER-WASHABLE COMPOSITIONS FOR USE IN 3D PRINTING BASF SE (DE) 2023-01-05 US disclosed
US-20210395558-A1 UV CURABLE COMPOSITION FOR USE IN 3D PRINTING BASF SE (DE) 2021-12-23 US disclosed
US-10322603-B2 Printing diffraction gratings on paper and board BASF SE (DE) 2019-06-18 US disclosed