SCHEMBL180160

SCHEMBL180160

CC(c1ccccc1)[C@@H](O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
MAPK1 P28482 1/20 0.54
CYP2D6 P10635 1/20 0.50
SRC P12931 1/20 0.50
HIF1A Q16665 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PTGS2 P35354 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
MME P08473 2/20 0.45
APAF1 O14727 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL7525226 1.00 LMNA (0.54) LMNAMAPK1CYP2D6SRCHIF1A
SCHEMBL10024370 1.00 LMNA (0.54) LMNAMAPK1CYP2D6SRCHIF1A
SCHEMBL28365109 0.87 LMNA (0.50) LMNAMAPK1CYP2D6SRCHIF1A
SCHEMBL17093337 0.87 LMNA (0.50) LMNAMAPK1CYP2D6SRCHIF1A
SCHEMBL16795921 0.87 LMNA (0.50) LMNAMAPK1CYP2D6SRCHIF1A
SCHEMBL14960669 0.84 HPGD (0.47) LMNAMAPK1CYP2D6SRCHIF1A
SCHEMBL8178447 0.83 ALOX5 (0.48) LMNAMAPK1CYP2D6SRCHIF1A
Cadaverine Tartrate SCHEMBL27514487 0.82 LMNA (0.54) LMNAMAPK1CYP2D6SRCHIF1A
SCHEMBL2175085 0.81 CYP1A2 (0.46) LMNAKDM4E
SCHEMBL21200913 0.81 CPN1 (0.54) LMNAMAPK1HIF1AKDM4EPTGS2

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
EP-2402316-A1 Piperidine derivatives AstraZeneca AB (Publ) (SE) 2012-01-04 EP disclosed