SCHEMBL8825935

SCHEMBL8825935

COc1ccc(SC(O[PH](=O)O)(C(C)C)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA4 P22748 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
RAB9A P51151 3/20 0.33

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
SCHEMBL8825933 0.88 LMNA (0.36) PTGIRALDH1A1MEN1KMT2ALMNA
SCHEMBL8826056 0.84 HPGD (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8825857 0.83 TSHR (0.37) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL8826064 0.83 SMN1; SMN2 (0.32) LMNAMTNR1AMTNR1BSMN1; SMN2CYP1A2
SCHEMBL8825870 0.80 PTGIR (0.39) PTGIRALDH1A1LMNACA1CA2
SCHEMBL8826137 0.77 NR1I2 (0.40) PTGIRALDH1A1MEN1KMT2ALMNA
SCHEMBL8826033 0.74 KIF11 (0.39) PTGIRALDH1A1MEN1KMT2ALMNA
SCHEMBL8825841 0.73 MAPT (0.38) ALDH1A1LMNACA1CA2TAS1R3
SCHEMBL8826054 0.71 HPGD (0.33) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL8825856 0.70 TSHR (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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