SCHEMBL3264757

SCHEMBL3264757

C=CCC(N)(CC=C)COC(=O)C=C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 7/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.40
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
HTT P42858 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
SCHEMBL20011617 0.81 ALDH1A1 (0.69) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL692055 0.80 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11880766 0.77 ALDH1A1 (0.69) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11851855 0.77 TSHR (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11224854 0.76 TSHR (0.40) ALDH1A1TSHRTHRB
SCHEMBL2046535 0.75 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13179776 0.75 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22430791 0.74 ALDH1A1 (0.60) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL16323009 0.74 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
Chloromethane SCHEMBL8427834 0.73 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217080-B2 Microcapsules BASF SE (DE) 2015-12-22 US disclosed
US-20130225717-A1 MICROCAPSULES BASF SE (DE) 2013-08-29 US disclosed
US-8449981-B2 Microcapsules BASF SE (DE) 2013-05-28 US disclosed
US-20100068525-A1 MICROCAPSULES BASF SE (DE) 2010-03-18 US disclosed