SCHEMBL7954441

SCHEMBL7954441

C=CC(=O)OC(C)OC(=O)NCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 2/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL22409462 0.86 CHRNB2 (0.40) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5923411 0.83 ACHE (0.46) TSHRHPGDEPHX1ZDHHC20ZDHHC2
SCHEMBL2727797 0.80 TSHR (0.50) TSHRHPGDSMN1; SMN2THRBALDH1A1
SCHEMBL3477668 0.79 TSHR (0.39) TSHRCHRNB2CHRNA4HPGD
SCHEMBL10821901 0.78 TSHR (0.58) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19010228 0.78 SMN1; SMN2 (0.49) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9159037 0.77 TSHR (0.45) TSHRHPGDSMN1; SMN2THRBALDH1A1
SCHEMBL20089022 0.76 TSHR (0.50) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23111350 0.76 TSHR (0.44) TSHRHPGDSMN1; SMN2THRBALDH1A1
SCHEMBL20474388 0.76 TSHR (0.33) TSHREPHX1ZDHHC20ZDHHC2

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-6258441-B1 PHOTOPOLYMERIZATION; ACRYLATED POLYURETHANE DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 2001-07-10 US disclosed
US-5401348-A Wear and imapct resistant DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1995-03-28 US disclosed