SCHEMBL12468595

SCHEMBL12468595

NC(=O)NCC(COc1ccccc1)(NC(N)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 3/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALPL P05186 2/20 0.36
ALPI P09923 2/20 0.36
ALPG P10696 2/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 3/20 0.36
BCAT2 O15382 1/20 0.36
RECQL P46063 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1078041 0.78 ALDH1A1 (0.43) PARP10NPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL12099900 0.77 PKM (0.39) PARP10KMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL5309684 0.75 ALPL (0.44) PARP10MTNR1AMTNR1BALOX15HPGD
SCHEMBL11410282 0.71 PARP10 (0.50) PARP10MTNR1AMTNR1BALOX15HPGD
SCHEMBL1304403 0.70 MAPT (0.36) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5309690 0.70 PPARG (0.49) PARP10MTNR1AMTNR1BHPGDKMT2A
SCHEMBL6544667 0.69 ALDH1A1 (0.41) PARP10MTNR1AMTNR1BALOX15KMT2A
SCHEMBL1053081 0.68 MTNR1A (0.69) PARP10MTNR1AMTNR1BHPGDNPC1
SCHEMBL29639804 0.67 L3MBTL1 (0.70) PARP10MTNR1AMTNR1BHPGDKMT2A
SCHEMBL27650813 0.67 ALOX15 (0.46) PARP10ALOX15KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616430-A2 NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS Cell Viable Corporation (US) 2013-07-24 EP disclosed
WO-2012050623-A2 NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS Cell Viable Corporation (US) 2012-04-19 WO disclosed