SCHEMBL8994728

SCHEMBL8994728

COC1=C(OC)C(c2cccc(OC)c2OC)C(P(c2ccccc2)c2ccccc2)(P(c2ccccc2)c2ccccc2)C=C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADRA1A P35348 5/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
NFE2L2 Q16236 1/20 0.33
POLB P06746 1/20 0.32
HTR1A P08908 3/20 0.31
ADRA1D P25100 3/20 0.31
ADRA1B P35368 3/20 0.31

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
SCHEMBL9243485 0.71 TUBB4A (0.35) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8994707 0.71 TUBB4A (0.35) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16719320 0.67 HSD11B1 (0.34) GAASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL6137485 0.66 MEN1 (0.36) GAASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL6833825 0.60 NFE2L2 (0.45) SMN1; SMN2NPC1ALDH1A1MAPTTSHR
SCHEMBL6841051 0.60 NFE2L2 (0.45) SMN1; SMN2NPC1ALDH1A1MAPTTSHR
SCHEMBL29639264 0.59 HTR2C (0.53) GAASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL25434306 0.59 CA1 (0.61) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL151213 0.59 CA1 (0.61) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27753904 0.59 CA1 (0.61) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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-5488172-A Chiral phosphorus compounds HOFFMANN-LA ROCHE INC. (US) 1996-01-30 US disclosed