SCHEMBL687445

SCHEMBL687445

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.50
AOC3 Q16853 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 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
SCHEMBL7056950 1.00 LMNA (0.52) LMNAMAPK1MAPTAOC3MEN1
SCHEMBL295743 1.00 LMNA (0.52) LMNAMAPK1MAPTAOC3MEN1
SCHEMBL5162907 0.83 LMNA (0.42) LMNAMAPK1MAPTMEN1KMT2A
SCHEMBL5929629 0.83 LMNA (0.42) LMNAMAPK1MAPTMEN1KMT2A
SCHEMBL27559595 0.82 LMNA (0.50) LMNAMAPK1MAPTADRA2AADRA2C
SCHEMBL5929551 0.81 SMN1; SMN2 (0.50) LMNAKMT2AKDM4ECYP2D6ALDH1A1
SCHEMBL5160712 0.81 SMN1; SMN2 (0.50) LMNAKMT2AKDM4ECYP2D6ALDH1A1
SCHEMBL10644619 0.80 AKR1C3 (0.51)
SCHEMBL20291832 0.80 MME (0.56) LMNAMEN1KMT2ACYP2D6SRC
SCHEMBL20876113 0.80 TDP1 (0.50) LMNAMAPK1MAPTCYP2D6SRC

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-1871782-B1 DIPHOSPHINES AND METAL COMPLEXES UMICORE AG & CO KG (DE) 2012-02-29 EP disclosed