SCHEMBL9052373

SCHEMBL9052373

C=CCOC(=O)C(O)(CO)CC=C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL2053658 0.83 PKM (0.41) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL247055 0.82 ALDH1A1 (0.32) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL2363793 0.80 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TSHRTP53
SCHEMBL8029715 0.80 ALDH1A1 (0.31) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL10437871 0.80 ALDH1A1 (0.31) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL9746230 0.76 TSHR (0.49) TSHRMAPT
SCHEMBL28947782 0.76 TSHR (0.43) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL6422138 0.76
SCHEMBL28977828 0.75 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL1362421 0.75 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996041824-A1 GRAFT COPOLYMERS AND THEIR PRODUCTION IMPERIAL EXPLOITATION LIMITED (GB) 1996-12-27 WO disclosed
US-5382633-A Modified polymers 3I RESEARCH EXPLOITATION LIMITED (GB) 1995-01-17 US disclosed
EP-0431015-A1 MODIFIED POLYMERS 3i RESEARCH EXPLOITATION LIMITED (GB) 1991-06-12 EP disclosed
EP-0357267-A1 Modified polymers 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-03-07 EP disclosed
WO-1990001506-A1 MODIFIED POLYMERS 3I RESEARCH EXPLOITATION LIMITED (GB) 1990-02-22 WO disclosed