SCHEMBL4181722

SCHEMBL4181722

O=C(c1ccccc1-c1ccccc1)P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CHRNB2 P17787 5/20 0.51
CHRNA4 P43681 5/20 0.51
CHRNB4 P30926 4/20 0.51
CHRNA3 P32297 4/20 0.51
ALDH1A1 P00352 3/20 0.49
HNF4A P41235 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL22041533 0.89 KMT2A (0.46) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL17023658 0.84 CA2 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL2773100 0.81 FOLH1 (0.46) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28395105 0.79 MEN1 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL31401985 0.77 BCAT2 (0.41) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL21880221 0.76 MYC (0.47) ALDH1A1POLBHTTTSHRLMNA
SCHEMBL19253581 0.76 MAPT (0.55) KMT2AALDH1A1TP53TSHRHSP90AA1
SCHEMBL57823 0.76 HPGD (0.50) KMT2ASMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL2688000 0.75 PTPN1 (0.45) KMT2AGAA
SCHEMBL2771672 0.75 FOLH1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1HNF4A

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-20090171011-A1 Radiation-curable optical glass fiber coating compositions, coated optical glass fibers, and optical glass fibers, and optical glass fiber assemblies DSM IP ASSETS B.V. (NL) 2009-07-02 US disclosed