SCHEMBL3990467

SCHEMBL3990467

CCc1ccc2c(O)cccc2c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
IAPP P10997 2/20 0.42
CDK2 P24941 1/20 0.41
IDO1 P14902 2/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
APP P05067 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SNCA P37840 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3952889 0.86 GABRA1 (0.64) GABRA1GABRB2IAPPLMNAALDH1A1
SCHEMBL3584443 0.81 GABRA1 (0.56) GABRA1GABRB2IAPPCDK2IDO1
SCHEMBL344347 0.80 IAPP (0.69) GABRA1GABRB2IAPPMAPTKDM4E
SCHEMBL2697663 0.79 TYR (0.57) IAPPHPGDHSD17B10MAPTKDM4E
SCHEMBL11220048 0.78 GABRA1 (0.48) GABRA1GABRB2IDO1HPGDHSD17B10
SCHEMBL29525444 0.78 LMNA (0.55) GABRA1GABRB2IDO1LMNAMAPT
SCHEMBL22778226 0.78 LMNA (0.55) GABRA1GABRB2IDO1LMNAMAPT
SCHEMBL10962332 0.77 GABRA1 (0.38) GABRA1GABRB2CDK2IDO1CYP1A2
SCHEMBL3955098 0.77 IDO1 (0.59) GABRA1GABRB2IDO1MEN1KMT2A
SCHEMBL70065 0.76 GABRA1 (0.76) GABRA1GABRB2IAPPCDK2HPGD

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
EP-1765821-A4 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-20 EP disclosed
EP-1765821-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO disclosed