SCHEMBL8842901

SCHEMBL8842901

C=C(NC=O)P(=O)(OC)OC.c1cc2ccc1-2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ERN1 O75460 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL8740293 0.89
SCHEMBL8740108 0.65 NR1I2 (0.44) POLBMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8740109 0.65 NR1I2 (0.44) POLBMAPTSMN1; SMN2ALDH1A1KMT2A
Trimethyl Phosphate SCHEMBL28722575 0.61 ALOX15 (0.36) MAPTSMN1; SMN2ALDH1A1
SCHEMBL27692038 0.60
SCHEMBL11340495 0.60 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28062661 0.60 ESR2 (0.39) SMN1; SMN2ERN1ALDH1A1
SCHEMBL328840 0.59 ALDH1A1 (0.30) ALDH1A1
Formic Acid Methyl Ester SCHEMBL16044022 0.59 ALDH1A1 (0.36) SMN1; SMN2ERN1ALDH1A1
SCHEMBL11456405 0.58 MAPT (0.52) POLBMAPTSMN1; SMN2ALDH1A1KMT2A

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
US-5703263-A USEFUL AS ANTIBIOTICS AND/OR AS INTERMEDIATES IN THE PREPARATION OF PHOSPHORUS-CONTAINING ANALOGS OF PEPTIDES MONSANTO COMPANY (US) 1997-12-30 US disclosed
US-5321153-A Asymetric hydrogenation MONSANTO COMPANY (US) 1994-06-14 US disclosed