SCHEMBL7745650

SCHEMBL7745650

C=C(C)C(=O)OCC(O)CO.C=C(C)C(=O)OCCCCO.C=CC(=O)OCCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
DGKA P23743 1/20 0.32
FAAH O00519 2/20 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
SCHEMBL524918 0.96 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL21084614 0.88 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL28033748 0.88 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL8067773 0.85 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL11242606 0.84 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL9853352 0.84 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL5835513 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL21313305 0.84 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL1548515 0.84 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL3274720 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDPOLB

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
EP-1068387-A2 MODIFIED TEXTILE AND OTHER MATERIALS AND METHODS FOR THEIR PREPARATION Avantgarb LLC (US) 2001-01-17 EP disclosed
WO-1999049124-A2 MODIFIED TEXTILE AND OTHER MATERIALS AND METHODS FOR THEIR PREPARATION AVANTGARB, LLC (US) 1999-09-30 WO disclosed