SCHEMBL9767945

SCHEMBL9767945

CCOC(=O)OC(C)OC(=O)c1ccccc1NC(=O)C=Cc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 6/20 0.54
MAPK1 P28482 2/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL9767800 0.87 ALDH1A1 (0.67) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL9767841 0.80 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL9767935 0.76 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL9767850 0.75 RAB9A (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL9767807 0.75 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL13854028 0.74 RAB9A (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL9767854 0.74 RAB9A (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL9768217 0.73 RAB9A (0.67) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL9767835 0.72 RAB9A (0.66) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL9768214 0.72 RAB9A (0.66) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1

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
US-5006548-A Hyaluronidase inhibitors, antiallergens, immunomodulators SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-04-09 US disclosed
EP-0153850-B1 ACRYLAMIDOBENZOIC ACID DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed