SCHEMBL9856531

SCHEMBL9856531

CCC(C)Oc1ccc(OCCOC(=O)N(CC)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ACACB O00763 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL10794833 0.83 ACACB (0.41) KMT2AMEN1ACACBTSHRMAPT
SCHEMBL10794838 0.81 ACACB (0.39) KMT2AMEN1ACACBHRH3TSHR
SCHEMBL10800531 0.80 MAPT (0.41) KMT2AACACBMAPTTDP1ALDH1A1
SCHEMBL9856638 0.79 ACACB (0.45) KMT2AMEN1ACACBTSHRMAPT
SCHEMBL9856371 0.79 ACACB (0.45) KMT2AMEN1ACACBTSHRMAPT
SCHEMBL9856151 0.79 ACACB (0.45) KMT2AMEN1ACACBTSHRMAPT
SCHEMBL10795585 0.78 KMT2A (0.41) KMT2AMEN1ACACBHRH3TSHR
SCHEMBL9856572 0.78 ACACB (0.47) ACACBHRH3TSHRMAPT
SCHEMBL9856665 0.77 ACACB (0.49) ACACBHRH3TSHRKDM4EALDH1A1
SCHEMBL9856033 0.76 ACACB (0.43) KMT2AMEN1ACACBTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US claimed
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