SCHEMBL4366941

SCHEMBL4366941

[CH2]C(CCC(=O)OCC)C(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TRPA1 O75762 1/20 0.36
DGKA P23743 1/20 0.36
TSHR P16473 2/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
NR1I2 O75469 1/20 0.33

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
SCHEMBL6988170 0.81 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL8684394 0.81 HDAC1 (0.38) TDP1LMNAALDH1A1TSHRCYP3A4
SCHEMBL127777 0.78 HCAR2 (0.39) GAAMGAMSIMGAM2TDP1
SCHEMBL6825006 0.78 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL5323280 0.77 CA2 (0.42) TDP1ALDH1A1TSHRCYP3A4ATM
SCHEMBL2044080 0.76 GAA (0.52) L3MBTL1POLBCYP1A2GAAMGAM
SCHEMBL7291178 0.75 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL27531458 0.75 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL1387656 0.74 ALDH1A1 (0.42) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL8431841 0.74 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019173-A1 OXIME ESTER PHOTOINITIATORS BASF SE (CH) 2009-02-12 WO disclosed
US-5730904-A Partially fluroinated benzene derivatives, and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
US-5571449-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-11-05 US disclosed
US-4205166-A 7-Substituted-3-aminoalkyl-, acylaminoalkyl-, or hydroxyalkyl-substituted heterocyclic thiomethyl-3-cephem-4-carboxylic acid derivatives and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-27 US disclosed