SCHEMBL16848645

SCHEMBL16848645

CC[C@@H](C)Cc1ccc(-c2ccc(OC(=O)c3ccc(OCOc4ccc(-c5ccc(C#N)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
MMP2 P08253 3/20 0.44
MMP3 P08254 1/20 0.44
THRB P10828 2/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
CTSL P07711 1/20 0.40
PPARA Q07869 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL16841015 1.00 MAPT (0.46) MAPTTP53LMNARAB9AMMP2
SCHEMBL20594637 0.96 TP53 (0.47) MAPTTP53LMNARAB9AMMP2
SCHEMBL21096319 0.96 TP53 (0.47) MAPTTP53LMNARAB9AMMP2
SCHEMBL26601876 0.96 TP53 (0.47) MAPTTP53LMNARAB9AMMP2
SCHEMBL25907978 0.96 TP53 (0.47) MAPTTP53LMNARAB9AMMP2
SCHEMBL8955714 0.96 TP53 (0.47) MAPTTP53LMNARAB9AMMP2
SCHEMBL16603409 0.93 RAB9A (0.56) MAPTTP53LMNARAB9AMMP2
SCHEMBL11599173 0.92 RAB9A (0.49) MAPTTP53LMNARAB9AMAOB
SCHEMBL11502430 0.92 RAB9A (0.49) MAPTTP53LMNARAB9AMAOB
SCHEMBL15583679 0.92 HDAC1 (0.47) MAPTTP53LMNARAB9AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855627-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-09-20 EP disclosed
US-20150175886-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-06-25 US disclosed