SCHEMBL3421776

SCHEMBL3421776

O=C(O)CC1(CC(=O)O)CCCCCCCCCCC1

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
CYP1A2 P05177 2/20 0.74
USP2 O75604 2/20 0.74
LMNA P02545 1/20 0.74
TSHR P16473 1/20 0.74
BLM P54132 1/20 0.74
CACNA2D1 P54289 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
CYP2C19 P33261 1/20 0.58
MAPK1 P28482 1/20 0.53
HSD11B1 P28845 1/20 0.50
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL10602483 1.00 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL98282 1.00 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL2871721 1.00 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
Hydrochloric Acid SCHEMBL4137591 0.97 ALDH1A1 (0.71) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL929568 0.97 ALDH1A1 (0.71) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL337085 0.97 ALDH1A1 (0.70) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL6581996 0.92 ALDH1A1 (0.62) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL11587611 0.89 ALDH1A1 (0.60) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL2454102 0.89 ALDH1A1 (0.67) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL14448382 0.89 ALDH1A1 (0.61) ALDH1A1CYP1A2USP2LMNATSHR

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-2240206-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2010-10-20 EP disclosed
WO-2009089022-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2009-07-16 WO disclosed