SCHEMBL28314714

SCHEMBL28314714

CC(C)(C)c1ccc(OC(=O)CC(=O)O)cc1.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAPT P10636 6/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ RAB9A P51151 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HTT P42858 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ NR1H4 Q96RI1 2/20 0.46
▸ NR4A2 P43354 1/20 0.45

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
SCHEMBL1205813 0.89 MAPT (0.56) SMN1; SMN2MAPTL3MBTL1TDP1RAB9A
SCHEMBL6253299 0.84 MAPT (0.51) SMN1; SMN2MAPTL3MBTL1TDP1RAB9A
SCHEMBL27670205 0.82 MAPT (0.62) SMN1; SMN2MAPTL3MBTL1TDP1RAB9A
SCHEMBL18294040 0.81 MAPT (0.49) SMN1; SMN2MAPTL3MBTL1TDP1RAB9A
SCHEMBL9492308 0.81 KIF11 (0.53) MAPTL3MBTL1KMT2AHSD17B10ALDH1A1
SCHEMBL9765294 0.80 MAPT (0.54) SMN1; SMN2MAPTL3MBTL1TDP1RAB9A
SCHEMBL120180 0.80 KMT2A (0.59) SMN1; SMN2MAPTL3MBTL1TDP1RAB9A
Butane SCHEMBL1043698 0.79 KIF11 (0.47) MAPTKMT2AMEN1HSD17B10ALDH1A1
SCHEMBL13290630 0.79 MAPT (0.53) SMN1; SMN2MAPTL3MBTL1TDP1RAB9A
SCHEMBL11704915 0.79 MAPT (0.53) SMN1; SMN2MAPTL3MBTL1TDP1RAB9A

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
CN-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 — — CN disclosed
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