SCHEMBL9733346

SCHEMBL9733346

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(OCC)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
MME P08473 2/20 0.50
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
YAP1 P46937 1/20 0.47
LTA4H P09960 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
LAP3 P28838 1/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
TACR1 P25103 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL9864316 1.00 RAB9A (0.52) RAB9AGAAMMELMNAL3MBTL1
SCHEMBL9864327 1.00 RAB9A (0.52) RAB9AGAAMMELMNAL3MBTL1
SCHEMBL7280394 0.91 MME (0.62) RAB9AGAAMMELMNASIGMAR1
SCHEMBL7280398 0.91 MME (0.62) RAB9AGAAMMELMNASIGMAR1
SCHEMBL9733367 0.91 MME (0.62) RAB9AGAAMMELMNASIGMAR1
SCHEMBL19465106 0.86 GAA (0.56) RAB9AGAAMMELMNAL3MBTL1
SCHEMBL10655994 0.86 GAA (0.52) RAB9AGAAMMELMNAL3MBTL1
SCHEMBL7439231 0.86 TACR1 (0.58) CTSLCTSBTACR1MAPTACE
SCHEMBL16116809 0.83 GAA (0.58) RAB9AGAAMMEL3MBTL1LTA4H
SCHEMBL8366724 0.83 GAA (0.61) RAB9AGAACTSLCTSBTACR1

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
US-5175306-A Intermediates for hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed
US-4822894-A PURE CIS ENANTIOMERS OF FUSED PYRROLE RING CARBOXYLATES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
EP-0115345-A1 Process for the resolution of racemic optically active bicyclic imino-alpha-carboxylic acid esters and use of the compounds obtainable in this way for the synthesis of carboxyalkyl dipeptides HOECHST AKTIENGESELLSCHAFT (DE) 1984-08-08 EP disclosed