SCHEMBL19487205

SCHEMBL19487205

Cc1ccc(C(c2ccc(NCC3CO3)cc2)c2ccc(NCC3CO3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 8/20 0.37
HPGD P15428 4/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 4/20 0.34
CASP1 P29466 3/20 0.34
THRB P10828 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 2/20 0.34
HBB P68871 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP7 P55210 1/20 0.34
GAA P10253 3/20 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
SCHEMBL244947 0.90 MAPT (0.50) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8981580 0.80 SMN1; SMN2 (0.42) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL19487203 0.77 MMP1 (0.41) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21401818 0.75 SMN1; SMN2 (0.39) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11245003 0.72 KLK5 (0.34) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4271408 0.72 L3MBTL1 (0.41) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11702489 0.72 RAB9A (0.37) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7535852 0.72 LMNA (0.38) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL16641019 0.71 HPGD (0.51) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL932900 0.71 HPGD (0.51) MAPTALDH1A1HPGDRAB9ASMN1; SMN2

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-9796927-B2 Liquid crystal aligning agents for forming photo-aligning liquid crystal alignment layers, liquid crystal alignment layers and liquid crystal display devices using the same JNC CORPORATION (JP) 2017-10-24 US disclosed