SCHEMBL9685954

SCHEMBL9685954

C=CC(C#N)(Cc1ccccc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
RECQL P46063 1/20 0.51
MMP8 P22894 1/20 0.51
PIN1 Q13526 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
PPID Q08752 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
TAAR1 Q96RJ0 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL9686984 0.85 ALDH1A1 (0.47) ALDH1A1RECQLMMP8CYP3A4CYP2C9
SCHEMBL7942748 0.81 ALDH1A1 (0.55) ALDH1A1RECQLMMP8PIN1MAPT
SCHEMBL9687488 0.81 ALDH1A1 (0.55) ALDH1A1RECQLMMP8PIN1CYP3A4
SCHEMBL23699289 0.79 MMP8 (0.57) ALDH1A1RECQLMMP8PIN1CYP3A4
SCHEMBL29277135 0.79 ALDH1A1 (0.54) ALDH1A1RECQLMMP8PIN1CYP2C19
SCHEMBL9686667 0.77 ALDH1A1 (0.55) ALDH1A1RECQLMMP8PIN1CYP3A4
SCHEMBL30513307 0.77 ALDH1A1 (0.60) ALDH1A1RECQLMMP8PIN1MAPT
SCHEMBL19711867 0.76 ALDH1A1 (0.50) ALDH1A1RECQLMMP8PIN1CYP3A4
SCHEMBL19711868 0.76 ALDH1A1 (0.50) ALDH1A1RECQLMMP8PIN1CYP3A4
SCHEMBL6286922 0.75 ALDH1A1 (0.52) ALDH1A1RECQLMMP8PIN1CYP3A4

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
US-5147952-A PROCESS FOR PRODUCING MACROMOLECULAR MONOMER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-15 US disclosed