SCHEMBL7968178

SCHEMBL7968178

Cn1c([CH]C(=O)O)cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.57
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ALB P02768 1/20 0.49
DAO P14920 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC9A1 P19634 1/20 0.45
MAPT P10636 2/20 0.44
ABCC2 Q92887 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7326486 0.83 MCL1 (0.54) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7326492 0.83 MCL1 (0.54) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28873352 0.79 MCL1 (0.53) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29894136 0.78 GRIN2D (0.51) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL342762 0.78 GRIN2D (0.51) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29247884 0.77 GRIN2D (0.51) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16756075 0.76 RAB9A (0.51) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5640746 0.76 GRIN2D (0.53) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3204531 0.76 ALB (0.49) MCL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3204520 0.76 ALB (0.49) MCL1GRIN2DGRIN3BGRIN1GRIN2A

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
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 claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
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
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed