SCHEMBL9867845

SCHEMBL9867845

C[CH]OC(=O)C(C)CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 3/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 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
SCHEMBL5560875 0.83 SMN1; SMN2 (0.37) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL698791 0.82
SCHEMBL6910529 0.81 TSHR (0.36) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
Ethane SCHEMBL20838520 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL19056966 0.77 GRIK1 (0.38) ALDH1A1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5009666 0.77 SMN1; SMN2 (0.40) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL2914469 0.77 SMN1; SMN2 (0.41) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL385363 0.77 SMN1; SMN2 (0.41) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL22144904 0.77 SMN1; SMN2 (0.41) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL2990977 0.75 SMN1; SMN2 (0.39) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1

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-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed