SCHEMBL9833787

SCHEMBL9833787

NC(=O)C(CCCc1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.55
FKBP1A P62942 1/20 0.53
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 1/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSS P25774 3/20 0.42
MLYCD O95822 1/20 0.41
LMNA P02545 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
SCHEMBL9833780 1.00 MMP8 (0.55) MMP8FKBP1AALDH1A1TSHRPOLB
SCHEMBL5420072 0.80 FKBP1A (0.53) MMP8FKBP1AALDH1A1TSHRPOLB
SCHEMBL5420082 0.80 FKBP1A (0.53) MMP8FKBP1AALDH1A1TSHRPOLB
SCHEMBL6279409 0.80 FKBP1A (0.53) MMP8FKBP1AALDH1A1TSHRPOLB
SCHEMBL5955854 0.78 FKBP1A (0.51) MMP8FKBP1AALDH1A1TSHRPOLB
SCHEMBL5421925 0.78 FKBP1A (0.51) MMP8FKBP1AALDH1A1TSHRPOLB
SCHEMBL5421917 0.78 FKBP1A (0.51) MMP8FKBP1AALDH1A1TSHRPOLB
SCHEMBL5955857 0.78 FKBP1A (0.51) MMP8FKBP1AALDH1A1TSHRPOLB
SCHEMBL10419193 0.77 GRIK1 (0.57) MMP8MAPTLMNA
SCHEMBL12196227 0.77 FKBP1A (0.60) MMP8FKBP1AALDH1A1TSHRPOLB

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
EP-0437508-A4 NON-PEPTIDE RENIN INHIBITORS 1991-11-06 EP disclosed