SCHEMBL9532045

SCHEMBL9532045

CC(C)C(C)CCCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
FOLH1 Q04609 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36

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
SCHEMBL12846937 0.87 KMT2A (0.46) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL27420046 0.83 KMT2A (0.38) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL18222768 0.80 LMNA (0.48) KMT2AALOX15PMP22GABRPGABRD
SCHEMBL20489977 0.80 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA4GABRPGABRD
SCHEMBL1783594 0.80 ALDH1A1 (0.43) CHRNB2CHRNB4CHRNA4GABRPGABRD
SCHEMBL25246790 0.80 KMT2A (0.39) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL3636048 0.79 CA1 (0.38) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL3685916 0.79
SCHEMBL104865 0.79
SCHEMBL5322012 0.78 KMT2A (0.48) KMT2AALOX15BLMPMP22FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543936-A4 RENIN INHIBITORS 1993-06-30 EP disclosed
EP-0543936-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1993-06-02 EP disclosed