SCHEMBL18124152

SCHEMBL18124152

C=CC(=O)NC(CC)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.33
NPC1 O15118 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
SCHEMBL15732428 0.81 ALDH1A1 (0.45) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL1070614 0.80 TSHR (0.47) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL8939923 0.80 ALDH1A1 (0.47) KMT2ATSHRALDH1A1LMNARAB9A
SCHEMBL2691456 0.80 ALDH1A1 (0.44) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL8065835 0.77 ALDH1A1 (0.40) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL10716467 0.77 KMT2A (0.45) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL9575417 0.73 KMT2A (0.43) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL3820779 0.72 CTSK (0.47) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL10716365 0.72 KMT2A (0.40) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL10714697 0.71 KMT2A (0.42) KMT2AMEN1TSHRALDH1A1LMNA

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
EP-2267048-B1 FLUOROPOLYMER AND WATER-REPELLENT AND OIL-REPELLENT AGENT DAIKIN IND LTD (JP) 2016-10-12 EP claimed