SCHEMBL11197907

SCHEMBL11197907

[CH2]CCCc1ccc(NC(=O)C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
SPHK2 Q9NRA0 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6029753 0.84 KMT2A (0.58) SPHK1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL14519890 0.84 SPHK1 (0.72) SPHK1RAB9ASMN1; SMN2NPC1SPHK2
SCHEMBL5991952 0.81 MEN1 (0.54) SPHK1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL14349974 0.81 SPHK1 (0.56) SPHK1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL5541692 0.81 POLB (0.53) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11196395 0.81 SPHK1 (0.50) SPHK1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL11196391 0.81 SPHK1 (0.52) SPHK1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL11742987 0.79 KMT2A (0.59) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL18880072 0.78 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10223253 0.78 CRHBP (0.59) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2

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-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed