SCHEMBL11656364

SCHEMBL11656364

O=C(OCC1CC1)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ADORA2B P29275 2/20 0.51
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 4/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.48
BRCA1 P38398 1/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL28024080 0.92 RAB9A (0.55) NPC1RAB9ALMNASMN1; SMN2ADORA2B
SCHEMBL32688517 0.77 ALDH1A1 (0.44) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL1433300 0.77 NPC1 (0.60) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL18025589 0.76 HPGD (0.46) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL7757826 0.75 NPC1 (0.58) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL6830087 0.75 NPC1 (0.58) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL422787 0.75 RAB9A (0.62) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL28321070 0.75 GLA (0.53) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL14376724 0.74 CHRM3 (0.53) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL20459384 0.74 ALDH1A1 (0.44) NPC1RAB9ALMNASMN1; SMN2ALDH1A1

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-4093622-A Pyridine esters of cyclopropane-carboxylic acid ZOECON CORPORATION (US) 1978-06-06 US disclosed