SCHEMBL9767660

SCHEMBL9767660

O=C(NP(=O)(O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALOX15 P16050 2/20 0.56
HDAC3 O15379 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
IDO1 P14902 1/20 0.56
HDAC1 Q13547 1/20 0.56
CA9 Q16790 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL28871381 0.83 ALOX15 (0.58) KDM4ETDP1ALOX15HDAC3CA12
SCHEMBL10718433 0.82 KDM4E (0.58) KDM4ETDP1ALOX15HDAC3CA12
SCHEMBL11430048 0.79 ALOX15 (0.54) KDM4ETDP1ALOX15HDAC3CA12
SCHEMBL1504747 0.79 HDAC3 (0.54) KDM4ETDP1ALOX15HDAC3CA12
Phosphoric Acid SCHEMBL28452050 0.78 ALDH1A1 (0.59) KDM4EALOX15HDAC3CA12CA1
Phosphoric Acid SCHEMBL28371261 0.78 ALDH1A1 (0.59) KDM4EALOX15HDAC3CA12CA1
SCHEMBL19133556 0.77 LMNA (0.55) KDM4ETDP1HDAC3CA12CA1
SCHEMBL9851930 0.77 ALDH1A1 (0.57) KDM4ETDP1ALOX15PTGS2HTT
SCHEMBL9851938 0.77 CA12 (0.58) KDM4ETDP1HDAC3CA12CA1
SCHEMBL31069857 0.77 HDAC3 (0.52) KDM4ETDP1ALOX15HDAC3CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026898-A Cell process controllers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-25 US disclosed
US-4924023-A MEDICINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
US-4873355-A Process for regioselectively preparing phosphorylated inositols and other cyclitols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-10 US disclosed