SCHEMBL10403108

SCHEMBL10403108

O=CC(I)CN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 5/20 0.37
ATM Q13315 2/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
CHRM2 P08172 2/20 0.33
ADRA2B P18089 2/20 0.33
DRD3 P35462 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CYP2D6 P10635 2/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 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
SCHEMBL10403034 0.98 HSD17B10 (0.44) HSD17B10MEN1KMT2AANPEPERAP2
SCHEMBL10403591 0.78 GAA (0.37) HSD17B10MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10403735 0.77 MEN1 (0.44) HSD17B10MEN1KMT2AANPEPERAP2
SCHEMBL10403971 0.74 MEN1 (0.41) HSD17B10MEN1KMT2AANPEPERAP2
SCHEMBL9431693 0.73 HSD17B10 (0.47) HSD17B10MEN1KMT2AANPEPERAP2
SCHEMBL7477423 0.73 ANPEP (0.48) HSD17B10MEN1KMT2AANPEPERAP2
SCHEMBL10403544 0.72 PIK3CD (0.59) MEN1KMT2ASMN1; SMN2ATMALDH1A1
SCHEMBL4737559 0.70 HSD17B10 (0.44) HSD17B10MEN1KMT2AANPEPERAP2
SCHEMBL8902458 0.70 HSD17B10 (0.44) HSD17B10MEN1KMT2AANPEPERAP2
SCHEMBL6222581 0.70 HSD17B10 (0.53) HSD17B10MEN1KMT2AANPEPERAP2

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed