SCHEMBL18912366

SCHEMBL18912366

CC(CCC(=O)O)NC(=O)c1cnc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.52
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 12/20 0.40
HRH4 Q9H3N8 4/20 0.39
TBXAS1 P24557 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRR2 P28476 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL16245993 0.83 KDM4E (0.54) TP53SMN1; SMN2NPC1RAB9A
SCHEMBL16246098 0.83 KDM4E (0.54) TP53SMN1; SMN2NPC1RAB9A
SCHEMBL22901899 0.78 SMN1; SMN2 (0.53) ACACBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL28200545 0.77 NAALAD2 (0.37) ACACBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL16264928 0.75 NPC1 (0.43) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18912254 0.72 ACACB (0.45) ACACBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL18912264 0.72 ALDH1A1 (0.51) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18912270 0.71 TP53 (0.46) ACACBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL18912271 0.71 TP53 (0.46) ACACBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL18912365 0.71 CYP1A2 (0.52) TP53SMN1; SMN2NPC1RAB9AKMT2A

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-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed