SCHEMBL8825967

SCHEMBL8825967

CCC(CC)(O[PH](=O)OC(CC)(CC)Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
ABCB11 O95342 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR2A P28223 1/20 0.30
PMP22 Q01453 1/20 0.30
PPARA Q07869 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8825971 0.89 TSHR (0.35) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8826138 0.85 MAPT (0.33) MAPTKMT2ALMNAHPGDHTT
SCHEMBL8825737 0.83 KCNH2 (0.36) ALDH1A1MAPK1
SCHEMBL8826132 0.82 APP (0.37) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL8826068 0.77 MAPT (0.35) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8825856 0.73 TSHR (0.36) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8826142 0.73 MAPT (0.35) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8825740 0.71 KCNH2 (0.35) MEN1KMT2AHPGDTSHRPKM
SCHEMBL8826071 0.71 MAPT (0.35) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8826137 0.71 NR1I2 (0.40) MAPTNPSR1MEN1KMT2ALMNA

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
US-5591881-A DEGRADING TRIALKYLSILYL PROTECTED-THREONINE WITH NINHYDRIN; PERFORMING HONOR-WORDSWORTH-EMONS REACTION CHOONGWAE PHARMACEUTICAL CO., LTD. (KR) 1997-01-07 US claimed
US-5591881-A DEGRADING TRIALKYLSILYL PROTECTED-THREONINE WITH NINHYDRIN; PERFORMING HONOR-WORDSWORTH-EMONS REACTION CHOONGWAE PHARMACEUTICAL CO., LTD. (KR) 1997-01-07 US disclosed