SCHEMBL10793003

SCHEMBL10793003

CN(CC(=O)c1ccc(O)c(OCc2ccccc2)c1)C(=O)OCc1ccccc1.O=P(O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
TSHR P16473 1/20 0.44
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SRC P12931 1/20 0.43
HDAC1 Q13547 2/20 0.40
SMPD1 P17405 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 3/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL10603957 0.93 EGFR (0.53) EGFRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10604706 0.92 EGFR (0.57) EGFRTSHRHPGDNPC1RAB9A
SCHEMBL10603961 0.84 EGFR (0.46) EGFRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10601747 0.84 EGFR (0.65) EGFRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL21480766 0.84 HPGD (0.57) EGFRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8559873 0.81 EGFR (0.48) EGFRHPGDSRCALDH1A1MAPT
SCHEMBL9696028 0.81 EGFR (0.42) EGFRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9696955 0.79 MAPT (0.44) EGFRHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10601087 0.79 TSHR (0.39) EGFRTSHRSRCHDAC1BRD4
SCHEMBL10601752 0.78 EGFR (0.54) EGFRHPGDNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4673671-A CONVERSION TO MONO O-PHOSPHATE ESTER SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1987-06-16 US disclosed