SCHEMBL18922735

SCHEMBL18922735

COCc1ccc(OC(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
PARP10 Q53GL7 1/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TSPO P30536 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL18922738 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL3723675 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL18067941 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL7704446 0.81 KMT2A (0.46) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL25184625 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL3718510 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL17423549 0.76 ALDH1A3 (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL11825770 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL31397783 0.75 PARP10 (0.38) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL10153872 0.74 TDP1 (0.62) ALDH1A1KDM4EHPGDHSD17B10TDP1

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