SCHEMBL14029162

SCHEMBL14029162

Cc1ccc(C(C)(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
PGK1 P00558 2/20 0.43
PGK2 P07205 2/20 0.43
PTPN5 P54829 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
MMP8 P22894 1/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL3883723 0.82 TSHR (0.48) TSHRLMNAPGK1PGK2PTPN5
SCHEMBL11759829 0.82 TSHR (0.48) TSHRLMNAPGK1PGK2PTPN5
SCHEMBL15187676 0.80 FDPS (0.47) LMNAPGK1PGK2PTPN5ALDH1A1
SCHEMBL7158867 0.79 PTPN1 (0.58) TSHRPGK1PGK2PTPN5ALDH1A1
SCHEMBL10684331 0.77 TSHR (0.48) TSHRLMNAPGK1PGK2PTPN5
SCHEMBL14029158 0.76 TSHR (0.46) TSHRLMNAPGK1PGK2PTPN5
SCHEMBL14029155 0.76 PGK1 (0.58) TSHRLMNAPGK1PGK2PTPN5
SCHEMBL14029153 0.76 TSHR (0.46) TSHRLMNAPGK1PGK2PTPN5
SCHEMBL6155317 0.76 PGK1 (0.78) PGK1PGK2PTPN5
Phosphoric Acid SCHEMBL8578561 0.74 CYP19A1 (0.55) TSHRLMNAPGK1PGK2PTPN5

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
US-7432277-B2 Phosphorus-containing macrocycles ARAID GENE THERAPEUTICS, INC. (US) 2008-10-07 US disclosed