SCHEMBL8843355

SCHEMBL8843355

C=CCOC(=O)/C(C#N)=C/NCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PTP4A3 O75365 2/20 0.39
PTP4A1 Q93096 2/20 0.39
PTP4A2 Q12974 1/20 0.39
CYP2C9 P11712 2/20 0.36
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8843360 1.00 TSHR (0.43) TSHRPTP4A3PTP4A1PTP4A2CYP2C9
SCHEMBL7889591 0.81 TSHR (0.49) TSHRZDHHC20ZDHHC2SMN1; SMN2CYP3A4
SCHEMBL541316 0.73 PTP4A1 (0.46) TSHRPTP4A3PTP4A1PTP4A2CYP2C9
SCHEMBL7545551 0.71 ALOX15 (0.41) SMN1; SMN2LMNAPOLBKDM4EHPGD
SCHEMBL6293723 0.71 PTP4A1 (0.49) TSHRPTP4A3PTP4A1PTP4A2CYP2C9
SCHEMBL8760455 0.71 TSHR (0.50) TSHRZDHHC20ZDHHC2EPHX1
SCHEMBL4088999 0.71 CYP2C9 (0.45) TSHRPTP4A3PTP4A1PTP4A2CYP2C9
SCHEMBL1566521 0.71 CYP2C9 (0.45) TSHRPTP4A3PTP4A1PTP4A2CYP2C9
SCHEMBL1566520 0.71 CYP2C9 (0.45) TSHRPTP4A3PTP4A1PTP4A2CYP2C9
SCHEMBL7117459 0.70 PTP4A3 (0.48) TSHRPTP4A3PTP4A1PTP4A2CYP2C9

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-5624981-A Polyalkylpiperidine containing acetic acid and 3-amino-acrylic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
US-5610210-A Aminovinylphosphonic ester stabilizers for organic material BASF AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed