SCHEMBL9856638

SCHEMBL9856638

CCNC(=O)OCCOc1ccc(O[C@H](C)CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL9856151 1.00 ACACB (0.45) ACACBLMNATP53CHRNB2CHRNB4
SCHEMBL9856371 1.00 ACACB (0.45) ACACBLMNATP53CHRNB2CHRNB4
SCHEMBL10794790 0.90 TAS1R3 (0.47) LMNATP53CHRNB2CHRNB4CHRNA3
SCHEMBL10795135 0.89 CHRNB2 (0.44) ACACBLMNATP53CHRNB2CHRNB4
SCHEMBL9856572 0.87 ACACB (0.47) ACACBLMNATP53SMN1; SMN2NPC1
SCHEMBL10797633 0.87 SMN1; SMN2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL10794935 0.86 LMNA (0.45) LMNATP53CHRNB2CHRNB4CHRNA3
SCHEMBL9856665 0.86 ACACB (0.49) ACACBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL9856033 0.85 ACACB (0.43) ACACBLMNATP53SMN1; SMN2NPC1
SCHEMBL9856673 0.85 MAPT (0.49) ACACBALDH1A1SMN1; SMN2NPC1TSHR

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed