SCHEMBL8105831

SCHEMBL8105831

CC(C)/C=C(/CC(C)C)N(C(=O)COc1nc2ccccc2o1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ELANE P08246 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.34
GLO1 Q04760 1/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 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
SCHEMBL8105834 1.00 RAB9A (0.38) RAB9ANPC1ALDH1A1MAPK1USP2
SCHEMBL8105868 0.87 SMN1; SMN2 (0.43) RAB9ANPC1ALDH1A1MAPK1HSD17B10
SCHEMBL8105871 0.87 SMN1; SMN2 (0.43) RAB9ANPC1ALDH1A1MAPK1HSD17B10
SCHEMBL8108114 0.87 SMN1; SMN2 (0.38) RAB9ANPC1ALDH1A1MAPK1USP2
SCHEMBL8108116 0.87 SMN1; SMN2 (0.38) RAB9ANPC1ALDH1A1MAPK1USP2
SCHEMBL8105289 0.86 LMNA (0.36) RAB9AALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL8105287 0.86 LMNA (0.36) RAB9AALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL8099931 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8099934 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9022222 0.78 PPARG (0.41) RAB9ANPC1ALDH1A1ELANESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047679-A1 HERBICIDAL N-ALKENYL HETEROARYLYLOXYACETAMIDES AMERICAN CYANAMID COMPANY (US) 2000-11-02 EP claimed
WO-1999025702-A1 HERBICIDAL N-ALKENYL HETEROARYLYLOXYACETAMIDES AMERICAN CYANAMID COMPANY (US) 1999-05-27 WO claimed
EP-1047679-A1 HERBICIDAL N-ALKENYL HETEROARYLYLOXYACETAMIDES AMERICAN CYANAMID COMPANY (US) 2000-11-02 EP disclosed
WO-1999025702-A1 HERBICIDAL N-ALKENYL HETEROARYLYLOXYACETAMIDES AMERICAN CYANAMID COMPANY (US) 1999-05-27 WO disclosed