SCHEMBL9714889

SCHEMBL9714889

COC(=CC#N)C(=O)OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PTP4A3 O75365 1/20 0.33
PTP4A2 Q12974 1/20 0.33
PTP4A1 Q93096 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11214261 0.83 ALDH1A1 (0.35) ALDH1A1PDE4DHCAR2
SCHEMBL21348194 0.76 TSHR (0.41) ALDH1A1HPGDPTP4A3PTP4A2PTP4A1
SCHEMBL27074465 0.76 TSHR (0.41) ALDH1A1HPGDPTP4A3PTP4A2PTP4A1
SCHEMBL13001841 0.73 ALDH1A1 (0.46) ALDH1A1HPGDMAPTTSHRGAA
SCHEMBL928955 0.73
SCHEMBL1275040 0.73
SCHEMBL15779421 0.72 ALDH1A1 (0.33) ALDH1A1HPGDPTP4A3PTP4A2PTP4A1
SCHEMBL11070930 0.70 KMT2A (0.46) ALDH1A1HPGDPTP4A3PTP4A2PTP4A1
SCHEMBL21037252 0.67 ALDH1A1 (0.50) ALDH1A1HPGDPTP4A3PTP4A2PTP4A1
SCHEMBL27853457 0.67 ALDH1A1 (0.50) ALDH1A1HPGDPTP4A3PTP4A2PTP4A1

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-1992009651-A1 POLYCYANOACRYLATE FOAM CHEMENCE LIMITED (GB) 1992-06-11 WO disclosed