SCHEMBL7966946

SCHEMBL7966946

N[C@H](CO)Cc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
KDM1A O60341 8/20 0.56
MAOA P21397 5/20 0.56
MAOB P27338 2/20 0.56
RCOR1 Q9UKL0 5/20 0.55
MGLL Q99685 1/20 0.52
ROCK2 O75116 1/20 0.52
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM1B Q8NB78 1/20 0.49
CTRB1 P17538 2/20 0.49

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
SCHEMBL7966954 1.00 POLB (0.58) POLBTP53MAPTKDM1AMAOA
SCHEMBL6051669 0.86 SLC7A5 (0.59) POLBTP53MAPTKDM1AMAOA
SCHEMBL6051665 0.86 SLC7A5 (0.59) POLBTP53MAPTKDM1AMAOA
SCHEMBL15947583 0.84 POLB (0.50) POLBTP53MAPTKDM1AMAOA
SCHEMBL14055557 0.83 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL9080564 0.83 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL7217283 0.82 POLB (0.59) POLBTP53MAPTKDM1AMAOA
SCHEMBL3942525 0.81 POLB (0.66) POLBTP53MAPTKDM1AMAOA
SCHEMBL10598558 0.81 POLB (0.69) POLBTP53MAPTKDM1AMAOA
Benzyl Phenylcarbamate SCHEMBL1222943 0.81 POLB (0.78) POLBTP53MAPTKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed