SCHEMBL8105871

SCHEMBL8105871

Cc1ccc2oc(OCC(=O)N(C(=CC(C)C)CC(C)C)C(C)C)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 8/20 0.38
AGPAT2 O15120 3/20 0.34
TP53 P04637 3/20 0.34
TSHR P16473 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CETP P11597 1/20 0.34
CEPT1 Q9Y6K0 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL8105868 1.00 SMN1; SMN2 (0.43) SMN1; SMN2GAAALDH1A1HPGDRAB9A
SCHEMBL8099931 0.90 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTCASP3SENP7
SCHEMBL8099934 0.90 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTCASP3SENP7
SCHEMBL8101439 0.88 SMN1; SMN2 (0.42) SMN1; SMN2GAAALDH1A1HPGDRAB9A
SCHEMBL8101443 0.88 SMN1; SMN2 (0.42) SMN1; SMN2GAAALDH1A1HPGDRAB9A
SCHEMBL8105831 0.87 RAB9A (0.38) SMN1; SMN2GAAALDH1A1RAB9AHSD17B10
SCHEMBL8105834 0.87 RAB9A (0.38) SMN1; SMN2GAAALDH1A1RAB9AHSD17B10
SCHEMBL8105287 0.84 LMNA (0.36) SMN1; SMN2GAAALDH1A1HPGDRAB9A
SCHEMBL8105289 0.84 LMNA (0.36) SMN1; SMN2GAAALDH1A1HPGDRAB9A
SCHEMBL8092044 0.77 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPTTP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1122665-C Herbicidal N-alkenyl heteroaryloxyacetamides AMERICAN CYANAMID CO (US) 2003-10-01 CN claimed
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
CN-1122665-C Herbicidal N-alkenyl heteroaryloxyacetamides AMERICAN CYANAMID CO (US) 2003-10-01 CN disclosed
CN-1278807-A Herbicidal N-alkenyl Heteroaryloxyacetamides AMERICAN CYANAMID CO (US) 2001-01-03 CN disclosed
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