SCHEMBL7071087

SCHEMBL7071087

C=CCOC(C#N)=C(CC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 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
SCHEMBL1275397 0.80 ALDH1A1 (0.42) TSHRALDH1A1CYP2C9SMN1; SMN2MAPT
SCHEMBL1724417 0.80 ALDH1A1 (0.42) TSHRALDH1A1CYP2C9SMN1; SMN2MAPT
SCHEMBL1275387 0.77 HCAR2 (0.36) TSHRALDH1A1CYP2C9TDP1
SCHEMBL1275024 0.75 ALDH1A1 (0.42) TSHRALDH1A1CYP2C9CYP3A4SMN1; SMN2
SCHEMBL4636490 0.74 ALDH1A1 (0.31) TSHRALDH1A1CYP2C9
SCHEMBL1275702 0.74 TSHR (0.32) TSHR
SCHEMBL7071086 0.73 TSHR (0.37) TSHRALDH1A1CYP3A4PTP4A3PTP4A1
SCHEMBL9357416 0.73 ALDH1A1 (0.35) TSHRALDH1A1CYP2C9TDP1
SCHEMBL27993814 0.72 TSHR (0.43) TSHRALDH1A1CYP3A4PTP4A3PTP4A1
SCHEMBL28064773 0.70 TSHR (0.46) 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