SCHEMBL12064923

SCHEMBL12064923

O=C(CCc1ccccc1)OCC(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.76
▸ ALDH1A1 P00352 5/20 0.72
▸ TDP1 Q9NUW8 3/20 0.68
▸ KMT2A Q03164 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ AGTR1 P30556 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ LMNA P02545 1/20 0.57
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL11510012 0.91 MAPT (0.64) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL12065084 0.90 TDP1 (0.67) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL4080431 0.82 MAPT (0.69) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7716471 0.82 KMT2A (0.79) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL28182817 0.81 TDP1 (1.00) MAPTALDH1A1TDP1
SCHEMBL18789784 0.81 MAPT (0.55) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL27358198 0.81 TDP1 (0.70) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL8610176 0.81 MAPT (0.62) MAPTALDH1A1KMT2AMEN1AGTR1
SCHEMBL7611620 0.81 MAPT (0.62) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28325790 0.81 KMT2A (0.70) MAPTALDH1A1TDP1KMT2AMEN1

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
WO-2011147311-A1 HYDROXY PROPANEDIOL DERIVATIVES, THEIR PREPARATIVE METHOD, PHARMACEUTICAL COMPOSITIONS AND USE 中国医学科学院药物研究所 (CN) 2011-12-01 — — WO disclosed
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