SCHEMBL20166074

SCHEMBL20166074

CCCC(C(=O)O)N(C(=O)OCC)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
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
ACE P12821 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL20165930 0.92 TSHR (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL20165444 0.82 TSHR (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5980962 0.82 TSHR (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28488980 0.81 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MEN1KMT2AACE
SCHEMBL20166090 0.79 MEN1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28903531 0.78 L3MBTL1 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL21522890 0.78 CYP2D6 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31126892 0.76 RAB9A (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL28481799 0.76 TSHR (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28482934 0.75 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2

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
EP-3541857-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2019-09-25 EP disclosed
WO-2018091375-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 WO disclosed