SCHEMBL6892894

SCHEMBL6892894

Cc1cc(OCCCC(=O)NCCCOCCOCCOCCCN(C=O)OCc2ccccc2)cc(C)c1S(=O)(=O)NC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
EPOR P19235 5/20 0.37
AVPR1B P47901 1/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
BMP1 P13497 1/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
CHRNA1 P02708 2/20 0.34
CHRNG P07510 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRND Q07001 2/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP13 P45452 2/20 0.34
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL7667809 0.94 SMN1; SMN2 (0.38) SMN1; SMN2EPORAVPR1BHPGDMEN1
SCHEMBL6889607 0.89 SMN1; SMN2 (0.35) SMN1; SMN2EPORAVPR1BHPGDMEN1
SCHEMBL4957686 0.86 MMP2 (0.46) SMN1; SMN2HPGDMEN1KMT2AMMP2
SCHEMBL7676093 0.85 SMN1; SMN2 (0.34) SMN1; SMN2EPORAVPR1BHPGDMEN1
SCHEMBL14271452 0.81 SMN1; SMN2 (0.42) SMN1; SMN2EPORHPGDMEN1KMT2A
SCHEMBL4653743 0.81 SMN1; SMN2 (0.42) SMN1; SMN2EPORHPGDMEN1KMT2A
SCHEMBL19809645 0.81 MMP2 (0.47) HPGDTAAR1MMP2MMP9MMP1
SCHEMBL4960020 0.81 MMP2 (0.47) HPGDTAAR1MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL4385494 0.78 ITGB3 (0.44) HPGDTAAR1MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL27589878 0.78 ITGB3 (0.44) HPGDTAAR1MMP2MMP9MMP1

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
US-6683163-B2 MONITORING ANGIOGENESIS FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-01-27 US disclosed