SCHEMBL8077133

SCHEMBL8077133

O=C(Nc1ccccc1)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](CO)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
HSP90AA1 P07900 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KLK7 P49862 6/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL3653539 0.80 CA12 (0.47) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL8071706 0.80 PGD (0.32)
SCHEMBL3654045 0.70 PGD (0.33)
SCHEMBL8063785 0.70 PGD (0.33)
SCHEMBL6350847 0.69 PTPN1 (0.37)
SCHEMBL9811910 0.68 POLB (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL21056246 0.66 MEN1 (0.61) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4280637 0.66 LPAR1 (0.37) TSHR
SCHEMBL23066886 0.65 LAP3 (0.46) HPGDTSHR
SCHEMBL28548192 0.65 POLB (0.55) MAPTALDH1A1MEN1KMT2AGAA

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-1023301-A1 A HETEROCYCLIC CHEMICAL COMPOUND PERSTORP AB (SE) 2000-08-02 EP disclosed
WO-1997018220-A1 A HETEROCYCLIC CHEMICAL COMPOUND PERSTORP AB (SE) 1997-05-22 WO disclosed