SCHEMBL7764615

SCHEMBL7764615

CC(C[C@H](O)C(N)Oc1ccccc1)CC(O)(c1ccc(S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
TARS1 P26639 1/20 0.35
CCR2 P41597 3/20 0.35
SLC6A9 P48067 1/20 0.34
PTPN1 P18031 1/20 0.33
PTGS2 P35354 2/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
NPY2R P49146 1/20 0.32
NR1H2 P55055 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
TP53 P04637 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL6322859 0.87 ANPEP (0.36) KIF11ANPEPLAP3GRIN2B
SCHEMBL7764613 0.76 LMNA (0.39) KIF11CCR2
SCHEMBL7764611 0.76 LMNA (0.39) KIF11CCR2
SCHEMBL11649112 0.71 GBA1 (0.50) TARS1TP53
SCHEMBL6320443 0.69 ADRB1 (0.52)
SCHEMBL6320439 0.69 ADRB1 (0.52)
SCHEMBL7768619 0.66 PPARG (0.39) KIF11TP53
SCHEMBL11649110 0.65 ALDH1A1 (0.42) TARS1
SCHEMBL11502703 0.62 ENPP2 (0.46) KIF11PTGS2
SCHEMBL7770335 0.62 MAPT (0.46) TP53

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
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed