SCHEMBL8868044

SCHEMBL8868044

CC(=O)Nc1ccccc1CCC[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC16A3 O15427 4/20 0.46
POLB P06746 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1644901 0.86 MAPK1 (0.56) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL8419387 0.86 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL8421130 0.85 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL607963 0.85 MAPK1 (0.54) ALDH1A1HPGDMAPK1TSHRSLC16A3
SCHEMBL28513100 0.83 MAPK1 (0.49) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL5101721 0.82 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL1644885 0.82 MAPK1 (0.59) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL7473218 0.82 SLC16A3 (0.49) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL7055476 0.82 ALDH1A1 (0.57) ALDH1A1HPGDMAPK1TSHRHTT
SCHEMBL9429255 0.81 ALDH1A1 (0.45) ALDH1A1HPGDMAPK1TSHRHTT

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed