SCHEMBL9435685

SCHEMBL9435685

O=C(CC(P(=O)(O)O)P(=O)(O)O)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL5015207 0.83 PTPN1 (0.45) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL12197936 0.77 PTPN1 (0.73) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL28422775 0.76 KMT2A (0.53) KMT2AMEN1ALDH1A1POLBFNTA
SCHEMBL31136174 0.76 PTPN1 (0.56) KMT2AMEN1ALDH1A1POLBFNTA
SCHEMBL9811837 0.74 NPC1 (0.50) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL12681232 0.73 SLC1A3 (0.69) KMT2AALDH1A1POLBHPGDNPC1
SCHEMBL16922181 0.72 NPC1 (0.66) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL2098193 0.72 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL2098194 0.72 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL1503954 0.72 NPC1 (0.66) KMT2AMEN1ALDH1A1POLBHPGD

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
EP-0586521-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1994-03-16 EP disclosed
WO-1992021355-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1992-12-10 WO disclosed