SCHEMBL11699464

SCHEMBL11699464

COC(=O)[C@H](Cc1ccc(OC)c(O)c1)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
PTPN1 P18031 1/20 0.53
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
LCK P06239 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
ACE P12821 1/20 0.51
ALOX12 P18054 1/20 0.50
CTSL P07711 1/20 0.50
HCRTR2 O43614 2/20 0.49
MDM4 O15151 1/20 0.48
MDM2 Q00987 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48

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
SCHEMBL10465688 0.90 ACE (0.57) GAARAB9AALDH1A1LMNAGLA
SCHEMBL14908475 0.86 RAB9A (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3884012 0.82 ACE (0.55) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3928164 0.82 LNPEP (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3928165 0.82 LNPEP (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL7824676 0.82 PTPN1 (0.60) PTPN1ACEHCRTR2
SCHEMBL11320091 0.82 PTPN1 (0.60) PTPN1ACEHCRTR2
SCHEMBL11828913 0.82 PTPN1 (0.60) PTPN1ACEHCRTR2
SCHEMBL1793176 0.82 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL31206887 0.82 GAA (0.76) GAARAB9AALDH1A1LMNAGLA

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-4058642-A HYPERTENSIVE BOEHRINGER INGELHEIM GMBH (DT) 1977-11-15 US disclosed