SCHEMBL8825971

SCHEMBL8825971

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPT P10636 7/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 3/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
ABCB11 O95342 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
STAT3 P40763 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8825967 0.89 MAPT (0.33) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL8826142 0.85 MAPT (0.35) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL8825740 0.83 KCNH2 (0.35) TSHRMEN1KMT2AHPGDPKM
SCHEMBL8826137 0.83 NR1I2 (0.40) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL8826071 0.80 MAPT (0.35) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL8825857 0.76 TSHR (0.37) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL8826138 0.73 MAPT (0.33) MAPTLMNAKMT2AHPGDHTT
SCHEMBL8825854 0.72 KIF11 (0.34) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL8825737 0.71 KCNH2 (0.36) MAPK1ALDH1A1
SCHEMBL8826132 0.71 APP (0.37) TSHRMAPTLMNAMEN1KMT2A

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