SCHEMBL19627293

SCHEMBL19627293

CCOC(=O)Oc1ccc(Oc2ccc(C(OO)c3ccc(OCC)cc3)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ACACB O00763 6/20 0.40
ACACA Q13085 2/20 0.40
MAPT P10636 5/20 0.38
KMT2A Q03164 5/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP10 Q53GL7 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL19627300 0.91 KMT2A (0.34) LMNAACACBACACAMAPTKMT2A
SCHEMBL19627290 0.89 MAPT (0.45) LMNAACACBACACAMAPTKMT2A
SCHEMBL19627286 0.75 ACACB (0.41) LMNAACACBACACAMAPTKMT2A
SCHEMBL17445755 0.71 ICAM1 (0.36) FFAR1
SCHEMBL9507872 0.70 NQO1 (0.54) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL6451238 0.68 ALDH1A1 (0.55) LMNAMAPTKMT2AMMP2MMP9
SCHEMBL8983166 0.68 SMN1; SMN2 (0.51) LMNAMAPTKMT2AMMP2MMP9
SCHEMBL19460696 0.67 KMT2A (0.67) LMNAMAPTKMT2AALDH1A1PARP10
SCHEMBL3419802 0.67 NQO1 (0.64) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL18570814 0.65 CACNA1C (0.54) LMNAMAPTATML3MBTL1ALDH1A1

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
US-20170335192-A1 Polymerisable Liquid Crystal Material and Polymerised Liquid Crystal Film MERCK PATENT GMBH (DE) 2017-11-23 US disclosed