SCHEMBL2155108

SCHEMBL2155108

Cc1ccccc1C(=O)C(c1ccccc1C)(N(C)C)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
ELANE P08246 2/20 0.35
PLAU P00749 1/20 0.35
POLB P06746 1/20 0.34
TYK2 P29597 1/20 0.34
ABCB1 P08183 1/20 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
SCHEMBL778555 0.73 HPGD (0.44) HPGDSMN1; SMN2THRBELANEPLAU
SCHEMBL8955453 0.71 PTPN1 (0.48) HPGDSMN1; SMN2ALDH1A1ALOX12ELANE
SCHEMBL778035 0.69 HPGD (0.41) HPGDSMN1; SMN2ALDH1A1ALOX12ELANE
SCHEMBL2155113 0.69 PGK1 (0.36) HPGDKMT2ASMN1; SMN2POLB
SCHEMBL28567265 0.67 CES1 (0.42) HPGDKMT2ASMN1; SMN2MAPTTHRB
SCHEMBL777436 0.67 HPGD (0.42) HPGDKMT2ASMN1; SMN2THRBALDH1A1
SCHEMBL29424792 0.67 HPGD (0.48) HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL697168 0.67 HPGD (0.48) HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29792964 0.67 HPGD (0.48) HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL30281296 0.67 HPGD (0.48) HPGDKMT2ASMN1; SMN2ALDH1A1

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-2519100-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS Mapi Pharma Limited (IL) 2012-11-07 EP disclosed
WO-2011080736-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA HK LIMITED (CN) 2011-07-07 WO disclosed