SCHEMBL6820069

SCHEMBL6820069

N[C@@H](CO)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.53
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
GRIK1 P39086 1/20 0.51
MAOA P21397 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ANPEP P15144 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
HTR3A P46098 1/20 0.46
MAOB P27338 2/20 0.45
HTR2A P28223 1/20 0.45
EPHX1 P07099 1/20 0.45
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL7309652 1.00 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL6820062 1.00 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL28779881 0.94 S1PR2 (0.59) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL7310306 0.94 S1PR2 (0.59) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL7303426 0.92 S1PR2 (0.62) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL1177666 0.88 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL4969986 0.88 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL1568623 0.88 ANPEP (0.53) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL3266047 0.87 S1PR2 (0.59) S1PR2S1PR4S1PR1S1PR3GRIK1
SCHEMBL25741921 0.86 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3GRIK1

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-0876388-B1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2004-02-18 EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
EP-0876388-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1998-11-11 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
WO-1997017356-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-05-15 WO disclosed