SCHEMBL1445653

SCHEMBL1445653

C=CCCCCCC(NC(=O)OCC(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TGM2 P21980 9/20 0.43
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
FOLH1 Q04609 3/20 0.39

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
SCHEMBL2894460 0.91 USP2 (0.41) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL2892856 0.91 USP2 (0.41) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL2894392 0.90 MAPT (0.40) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL2896676 0.90 MAPT (0.40) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL12564389 0.88 SMN1; SMN2 (0.44) SMN1; SMN2TGM2TSHRFOLH1
SCHEMBL2458918 0.86 TGM2 (0.42) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL2891734 0.86 TGM2 (0.42) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL2458923 0.86 TGM2 (0.42) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL2888631 0.86 TGM2 (0.42) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL865337 0.85 ALDH1A1 (0.47) SMN1; SMN2USP2CYP3A4MAPTALDH1A1

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-2477980-A1 HCV PROTEASE INHIBITORS Taigen Biotechnology Co., Ltd. (TW) 2012-07-25 EP disclosed
WO-2011034518-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-24 WO disclosed