SCHEMBL7259591

SCHEMBL7259591

C[C@H](OCc1ccccc1)[C@H](CCOc1ccc2oc3ccccc3c2c1)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
PTGER4 P35408 1/20 0.42
ACSL1 P33121 2/20 0.38
ACSL6 Q9UKU0 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MCHR1 Q99705 1/20 0.38
ADA P00813 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7453012 0.86 ADA (0.48) ADAALDH1A1MAPT
SCHEMBL7258752 0.84 ATM (0.41) LMNAADAALDH1A1
SCHEMBL7263602 0.82 PPARG (0.41) LMNAADAALDH1A1MAPT
SCHEMBL7258926 0.81 MRGPRX4 (0.44) ADA
SCHEMBL7264016 0.81 MCHR1 (0.40) MCHR1ADA
SCHEMBL7449954 0.81 KMT2A (0.39) ALDH1A1MAPT
SCHEMBL7263300 0.80 PDE10A (0.39) ADAMAPT
SCHEMBL5672345 0.79 ADA (0.57) LMNAPTGER4CASP3SENP8SENP7
SCHEMBL7448692 0.78 ADA (0.38) LMNAADAALDH1A1
SCHEMBL7449720 0.78 SLC1A3 (0.35) ADAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed