SCHEMBL8769135

SCHEMBL8769135

CC1(CC(=O)O)CNC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.36
MMP8 P22894 4/20 0.36
MMP9 P14780 4/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP2 P08253 3/20 0.33
POLB P06746 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL2865195 0.69 ALDH1A1 (0.44) ALDH1A1TP53MMP8MMP9NPSR1
SCHEMBL6221243 0.69 SMN1; SMN2 (0.34) MMP9MMP2LMNA
SCHEMBL12013779 0.67 TP53 (0.57) ALDH1A1TP53MMP8MMP9MMP2
SCHEMBL6690127 0.67 POLB (0.31) TP53POLB
SCHEMBL2473210 0.66 SMN1; SMN2 (0.32) MMP9MMP2LMNA
SCHEMBL1583554 0.66 SMN1; SMN2 (0.32) MMP9MMP2LMNA
SCHEMBL3546319 0.65 ALDH1A1 (0.41) ALDH1A1MMP8MMP9TSHRGABRA5
SCHEMBL7645981 0.65 LMNA (0.64) ALDH1A1TP53MMP8MMP9MMP2
SCHEMBL12189561 0.64 CRBN (0.33)
SCHEMBL21990716 0.64 ATAD2 (0.35)

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-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 WO disclosed