SCHEMBL18090574

SCHEMBL18090574

CN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccsc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.47
FABP4 P15090 9/20 0.44
FABP3 P05413 1/20 0.44
FABP2 P12104 1/20 0.44
FABP5 Q01469 1/20 0.44
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
EDNRA P25101 3/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18090576 0.86 POLB (0.46) LMNAEDNRA
SCHEMBL22261624 0.75 LMNA (0.44) LMNANPSR1FABP4FABP3FABP2
SCHEMBL28034923 0.74 HSD11B1 (0.56) LMNAKMT2AKDM4E
SCHEMBL17908025 0.72 LMNA (1.00) LMNANPSR1FABP4FABP3FABP2
SCHEMBL2531253 0.71 LMNA (0.68) LMNANPSR1FABP4FABP3FABP2
SCHEMBL3821615 0.71 LMNA (0.58) LMNANPSR1FABP4FABP3FABP2
SCHEMBL6361732 0.71 NPSR1 (0.51) NPSR1MEN1KMT2A
SCHEMBL1864283 0.70 ALDH1A1 (0.51) LMNAKDM4E
SCHEMBL11472500 0.69 LMNA (0.65) LMNANPSR1FABP4FABP3FABP2
SCHEMBL1858049 0.69 ALDH1A1 (0.39) LMNAMEN1KMT2A

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
US-9440954-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
US-9440954-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
CN-104334542-A Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMA SPA 2015-02-04 CN disclosed