SCHEMBL11715604

SCHEMBL11715604

CCOC(=O)C=C(C)Nc1cccc(CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
MAPT P10636 7/20 0.49
HPGD P15428 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 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
SCHEMBL11715589 1.00 SMN1; SMN2 (0.49) SMN1; SMN2TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL2886489 0.86 HSD17B10 (0.55) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL2886492 0.86 HSD17B10 (0.55) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL5404380 0.84 MAPT (0.46) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL5404383 0.84 MAPT (0.46) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL1974848 0.83 MAPT (0.51) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL1717226 0.83 MAPT (0.51) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL1717228 0.83 MAPT (0.51) SMN1; SMN2MAPTHPGDMAPK1KMT2A
SCHEMBL11723450 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMAPK1KMT2AALDH1A1
SCHEMBL11723465 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMAPK1KMT2AALDH1A1

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-4027037-A ARTHROPOD METAMORPHOSIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed