SCHEMBL28097066

SCHEMBL28097066

NCc1ccc(CC(NC(=O)O)C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.47
CAPN1 P07384 1/20 0.43
CTSB P07858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
FCER2 P06734 3/20 0.42
MMP1 P03956 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
ACE P12821 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL9109075 0.86 HPGDS (0.56) HPGDSCAPN1CTSBFCER2MMP1
SCHEMBL298697 0.85 FPR2 (0.48) HPGDSFCER2MMP1ACE
SCHEMBL20397627 0.85 FPR2 (0.48) HPGDSFCER2MMP1
SCHEMBL26909780 0.85 HPGDS (0.58) HPGDSACE
SCHEMBL18262574 0.85 CA2 (0.49) HPGDSCYP2C9CYP2C19PPARG
SCHEMBL4348297 0.85 HPGDS (0.58) HPGDSACE
SCHEMBL12495080 0.85 FPR2 (0.48) HPGDSFCER2MMP1
SCHEMBL18546526 0.85 FPR2 (0.48) HPGDSFCER2MMP1ACE
SCHEMBL18262572 0.85 CA2 (0.49) HPGDSCYP2C9CYP2C19PPARG
SCHEMBL18262496 0.81 LDHA (0.57) MMP1PPARG

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
CN-105916499-A 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2016-08-31 CN disclosed