SCHEMBL28055475

SCHEMBL28055475

COP(=O)(OC)Oc1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN4A P35499 3/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
KCNK3 O14649 1/20 0.34

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
SCHEMBL12997457 0.96 MAPT (0.41) MAPTLMNASMN1; SMN2GAACYP3A4
SCHEMBL940949 0.89 MAPT (0.45) MAPTLMNASMN1; SMN2GAACYP3A4
SCHEMBL28397604 0.84 MAPT (0.42) MAPTLMNASMN1; SMN2GAACYP3A4
Phosphoric Acid SCHEMBL8344759 0.83 INPPL1 (0.42) MAPTLMNASMN1; SMN2GAACYP3A4
SCHEMBL4990431 0.81 MAPT (0.40) MAPTLMNASMN1; SMN2GAACYP3A4
SCHEMBL131318 0.81 CYP3A4 (0.59) MAPTLMNASMN1; SMN2GAACYP3A4
SCHEMBL3757863 0.81 MAPT (0.40) MAPTLMNASMN1; SMN2GAACYP3A4
SCHEMBL12997458 0.79 MAPT (0.39) MAPTLMNASMN1; SMN2GAACYP3A4
SCHEMBL29669504 0.79 MAPT (0.47) MAPTLMNASMN1; SMN2GAACYP3A4
SCHEMBL30772416 0.79 MAPT (0.39) MAPTLMNASMN1; SMN2GAACYP3A4

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
CN-105524108-A Preparation method of 1,1,3-tri-substituted divinyl dimethyl phosphate compound UNIV BEIJING 2016-04-27 CN disclosed