SCHEMBL7071086

SCHEMBL7071086

C=CCO/C(C(=O)O)=C(\C#N)CC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.32
PTP4A3 O75365 2/20 0.32
PTP4A1 Q93096 2/20 0.32
PTP4A2 Q12974 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL1275393 0.80 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL1275385 0.77 HCAR2 (0.36) TSHRALDH1A1TDP1
SCHEMBL1275023 0.75 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL4636489 0.74 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL1275701 0.74 TSHR (0.32) TSHRALDH1A1
SCHEMBL7071087 0.73 TSHR (0.37) TSHRALDH1A1CYP3A4PTP4A3PTP4A1
SCHEMBL27993814 0.72 TSHR (0.43) TSHRALDH1A1CYP3A4PTP4A3PTP4A1
SCHEMBL5008753 0.70 TSHR (0.47) TSHRALDH1A1CYP3A4PKMSMN1; SMN2
Propionic Acid SCHEMBL27993809 0.70 TSHR (0.58) TSHRALDH1A1CYP3A4PTP4A3PTP4A1
Hydrogen Sulfide SCHEMBL28143183 0.69 TSHR (0.50) TSHRALDH1A1CYP3A4PTP4A3PTP4A1

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
WO-2003050619-A2 A METHOD FOR PRODUCING A MASK FOR HIGH RESOLUTION LITHOGRAPHY, A MASK OBTAINED THEREBY AND A MULTI-LAYER ELEMENT FOR HIGH RESOLUTION LITHOGRAPHY INFM ISTITUTO NAZIONALE PER LA FISICA DELLA MATERIA (IT) 2003-06-19 WO disclosed