SCHEMBL12469648

SCHEMBL12469648

CC1(C)C2C(=O)N(Cc3ccccc3)C(=O)C21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 4/20 0.54
ACHE P22303 1/20 0.54
CTSG P08311 2/20 0.53
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
CMA1 P23946 1/20 0.53
CTRC Q99895 1/20 0.53
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRTN3 P24158 1/20 0.51
EP300 Q09472 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
MGLL Q99685 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ADRA2A P08913 1/20 0.46
NISCH Q9Y2I1 1/20 0.46

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
SCHEMBL9909016 1.00 ELANE (0.59) ELANEMEN1KMT2AALDH1A1ACHE
SCHEMBL6620106 0.80 ELANE (0.53) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL6742469 0.79 ELANE (0.56) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL14189455 0.79 ELANE (0.56) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL9975770 0.79 KMT2A (0.66) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL10031595 0.79 KMT2A (0.66) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL22025234 0.78 ACHE (0.61) ELANEMEN1KMT2AALDH1A1ACHE
SCHEMBL1190997 0.78 ACHE (0.68) ELANEMEN1KMT2AALDH1A1ACHE
SCHEMBL16759895 0.78 KMT2A (0.70) ELANEMEN1KMT2AALDH1A1CTSG
SCHEMBL16775234 0.78 KMT2A (0.70) ELANEMEN1KMT2AALDH1A1CTSG

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
WO-2023175526-A1 PROCESS FOR PREPARATION OF AZABICYCLO [3.1.0] HEXANE INTERMEDIATES LAURUS LABS LIMITED (IN) 2023-09-21 WO disclosed
WO-2014061034-A1 PROCESS FOR PREPARATION OF BOCEPREVIR AND INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2014-04-24 WO disclosed
WO-2012049688-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RACEMIC 6, 6- DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE AND ITS SALTS, A KEY RAW MATERIAL FOR HCV INHIBITOR. ARCH PHARMALABS LIMITED (IN) 2012-04-19 WO disclosed