SCHEMBL18922738

SCHEMBL18922738

CCOCc1ccc(OC(C)C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
HIF1A Q16665 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
TSPO P30536 1/20 0.35
PARP10 Q53GL7 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
ALOX5 P09917 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL18922735 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL18067941 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL3723675 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL25184625 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL3718510 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL21788012 0.77 ALDH1A1 (0.37) ALDH1A1POLBHIF1ANPSR1KMT2A
SCHEMBL22199594 0.77 ALDH1A1 (0.37) ALDH1A1POLBHIF1ANPSR1KMT2A
SCHEMBL3432857 0.74 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL17423549 0.73 ALDH1A3 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL11825770 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10SMN1; 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-9669030-B2 Hydantoin derivatives as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2017-06-06 US disclosed