SCHEMBL3693152

SCHEMBL3693152

OC1CCCC[C@H]1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 10/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 2/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL1149307 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL3414993 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL15061117 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL3869911 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL5163055 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL14026071 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL8746667 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL407263 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL15464620 0.98 SLC18A3 (0.57) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL15464618 0.98 SLC18A3 (0.57) SLC18A3MEN1KMT2ACYP2D6TSHR

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
EP-2190439-A2 SYNTHESIS OF OSELTAMIVIR CONTAINING PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY Academia Sinica (TW) 2010-06-02 EP disclosed
WO-2009029888-A2 SYNTHESIS OF OSELTAMIVIR CONTAINING PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY WONG CHI-HUEY (US) 2009-03-05 WO disclosed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed