SCHEMBL8149658

SCHEMBL8149658

C[C@H](Nc1c(O)ccc2c1ccc1ccccc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HCRTR1 O43613 1/20 0.43
AKR1B1 P15121 2/20 0.42
ELANE P08246 1/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPRT1 P00492 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
SCHEMBL8366981 0.80 BBOX1 (0.44) KDM4EALDH1A1AKR1B1HPGDHSD17B10
SCHEMBL29494080 0.79 HPRT1 (0.47) KDM4EALDH1A1AKR1B1GAAHPGD
SCHEMBL413130 0.79 HPRT1 (0.47) KDM4EALDH1A1AKR1B1GAAHPGD
SCHEMBL7596368 0.78 TSHR (0.42) G6PDALDH1A1AKR1B1HSD17B10
SCHEMBL173509 0.78 TSHR (0.42) G6PDALDH1A1AKR1B1HSD17B10
SCHEMBL11190798 0.78 TSHR (0.42) G6PDALDH1A1AKR1B1HSD17B10
SCHEMBL1627739 0.77 KCNJ11 (0.43) G6PDKDM4EALDH1A1AKR1B1HSD17B10
SCHEMBL27140016 0.77 AKR1B1 (0.50) ALDH1A1AKR1B1GAAHPGDHSD17B10
SCHEMBL680370 0.77 AKR1B1 (0.40) G6PDKDM4EALDH1A1AKR1B1HSD17B10
Acetic Acid SCHEMBL29643381 0.75 S1PR4 (0.40) G6PDKDM4EALDH1A1AKR1B1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083758-A CONTACTING ARRAY OF PEPTIDES, INCLUDING BINDING OR SIGNALING GROUP AND COUPLED TO A SOLID PHASE SUPPORT, WITH SOLUTION CONTAINING KNOWN CONCENTRATION OF METAL AND MONITORING FLUORESCENCE OF EACH OF THE PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-04 US claimed
US-6083758-A CONTACTING ARRAY OF PEPTIDES, INCLUDING BINDING OR SIGNALING GROUP AND COUPLED TO A SOLID PHASE SUPPORT, WITH SOLUTION CONTAINING KNOWN CONCENTRATION OF METAL AND MONITORING FLUORESCENCE OF EACH OF THE PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-04 US disclosed