SCHEMBL8020463

SCHEMBL8020463

COC(=O)Nc1ccc([C]=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
HPGD P15428 3/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
PGR P06401 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9609808 0.85 SMN1; SMN2 (0.82) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL2088691 0.82 PGR (0.62) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL5528365 0.82 PTPN11 (0.52) SMN1; SMN2HPGDRAB9AALDH1A1CYP2C19
SCHEMBL599684 0.79 KMT2A (0.73) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL7251623 0.79 SMN1; SMN2 (0.72) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL2323162 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL18814226 0.77 SMN1; SMN2 (1.00) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL9089994 0.77 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL514571 0.77 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL17518815 0.77 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed