SCHEMBL9856665

SCHEMBL9856665

CCC(C)NC(=O)OCCOc1ccc(OC(C)CC)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.49
ALDH1A1 P00352 2/20 0.46
HRH3 Q9Y5N1 3/20 0.45
HRH4 Q9H3N8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 3/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 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
SCHEMBL9856572 0.90 ACACB (0.47) ACACBHRH3SMN1; SMN2MAPK1TAS1R3
SCHEMBL9856638 0.86 ACACB (0.45) ACACBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL9856371 0.86 ACACB (0.45) ACACBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL9856151 0.86 ACACB (0.45) ACACBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL9856033 0.83 ACACB (0.43) ACACBSMN1; SMN2MAPK1KDM4ETAS1R3
SCHEMBL9856401 0.81 L3MBTL1 (0.46) ACACBALDH1A1HRH3SMN1; SMN2KDM4E
SCHEMBL9856673 0.77 MAPT (0.49) ACACBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL9856607 0.77 ACACB (0.42) ACACBALDH1A1HRH3SMN1; SMN2MAPK1
SCHEMBL9856531 0.77 KMT2A (0.45) ACACBALDH1A1HRH3KDM4ETSHR
SCHEMBL10794790 0.77 TAS1R3 (0.47) ALDH1A1SMN1; SMN2MAPK1TAS1R3TAS1R1

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