SCHEMBL7419110

SCHEMBL7419110

[CH2]C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.57
ACE2 Q9BYF1 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CTRB1 P17538 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.52
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
GFER P55789 1/20 0.51

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
SCHEMBL3049973 0.84 PREP (0.58) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL15372095 0.83 PREP (0.59) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL13769204 0.83 PREP (0.57) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL475715 0.83 PREP (0.67) PREPSMN1; SMN2CTRB1NPSR1TSHR
SCHEMBL1355639 0.83 PREP (0.59) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL5269200 0.83 ACE2 (0.58) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL812253 0.83 PREP (0.57) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL205223 0.83 PREP (0.67) PREPSMN1; SMN2CTRB1NPSR1TSHR
SCHEMBL29553 0.83 PREP (0.67) PREPSMN1; SMN2CTRB1NPSR1TSHR
SCHEMBL29658848 0.83 PREP (0.67) PREPSMN1; SMN2CTRB1NPSR1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP claimed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US claimed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO claimed
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP disclosed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed