SCHEMBL11434847

SCHEMBL11434847

C/C(=C/C(=O)O)C(=O)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA2 P00918 1/20 0.33
CHKA P35790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19908656 0.80 ALDH1A1 (0.44) ALDH1A1LMNAUSP2ALOX12KMT2A
SCHEMBL21987080 0.78 ALDH1A1 (0.50) ALDH1A1LMNAUSP2ALOX12KMT2A
SCHEMBL21987011 0.78 ALDH1A1 (0.50) ALDH1A1LMNAUSP2ALOX12KMT2A
SCHEMBL5500682 0.78 ALDH1A1 (0.40) ALDH1A1LMNAUSP2ALOX12KMT2A
SCHEMBL2673508 0.76 ALDH1A1 (0.47) ALDH1A1LMNAUSP2ALOX12KMT2A
SCHEMBL456777 0.76 ALDH1A1 (0.47) ALDH1A1LMNAUSP2ALOX12KMT2A
SCHEMBL2673510 0.76 ALDH1A1 (0.47) ALDH1A1LMNAUSP2ALOX12KMT2A
SCHEMBL19265661 0.72 ALDH1A1 (0.36) ALDH1A1LMNAUSP2ALOX12KMT2A
SCHEMBL11284764 0.72 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL3999543 0.72 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002735-B1 PROCESS FOR THE PREPARATION OF PIPERONYLIDENECROTON AMIDES HAARMANN & REIMER GMBH (DE) 1980-12-10 EP disclosed
EP-0002734-B1 PROCESS FOR THE PREPARATION OF PIPERONYLIDENECROTON AMIDES HAARMANN & REIMER GMBH (DE) 1980-09-17 EP disclosed
US-4209446-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF ALKALI METAL HYDROXIDE AND DIPOLAR APROTIC DILUENT HAARMAN & REIMER GMBH (DE) 1980-06-24 US disclosed
US-4209445-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM HYDROXIDE OR CROWN ETHER METAL COMPLEX HAARMAN & REIMER GMBH (DE) 1980-06-24 US disclosed
EP-0002734-A2 Process for the preparation of piperonylidenecroton amides HAARMANN & REIMER GMBH (DE) 1979-07-11 EP disclosed