SCHEMBL14893355

SCHEMBL14893355

O=C(O)C1CCCN1C(=O)OCc1ccccc1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PREP P48147 3/20 0.54
▸ CTRB1 P17538 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KLK7 P49862 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ GFER P55789 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ACE P12821 1/20 0.48

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
SCHEMBL475715 0.87 PREP (0.67) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
SCHEMBL205223 0.87 PREP (0.67) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
SCHEMBL29658848 0.87 PREP (0.67) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
SCHEMBL29553 0.87 PREP (0.67) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
Hydrochloric Acid SCHEMBL32677508 0.86 PREP (0.65) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
SCHEMBL630208 0.83 PREP (0.62) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
SCHEMBL630241 0.83 PREP (0.62) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
SCHEMBL82714 0.83 PREP (0.62) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
SCHEMBL20678314 0.82 PREP (0.71) ALDH1A1SMN1; SMN2PREPCTRB1TSHR
SCHEMBL17459415 0.82 PREP (0.71) ALDH1A1SMN1; SMN2PREPCTRB1TSHR

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-2771021-A2 NMDA RECEPTOR MODULATORS AND USES THEREOF North Western University (US) 2014-09-03 — — EP disclosed
WO-2013063120-A2 NMDA RECEPTOR MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2013-05-02 — — WO disclosed
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