SCHEMBL11140940

SCHEMBL11140940

CCOC(=O)C(Br)CCCCCCCOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.33
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2966296 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1TSHR
SCHEMBL11541470 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRADORA3
SCHEMBL11138560 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1TSHR
SCHEMBL11138355 0.84 MEN1 (0.33) MEN1KMT2AZDHHC7ALDH1A1
SCHEMBL7622057 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1TSHR
SCHEMBL28454991 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRADORA3
SCHEMBL22070605 0.80 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRADORA3
SCHEMBL1263510 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1RAB9A
SCHEMBL11537124 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1RAB9A
SCHEMBL28753410 0.79 MEN1 (0.43) MEN1KMT2AKDM4CNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4413002-A Bronchodilating hydantoin derivatives BEECHAM GROUP LIMITED (GB) 1983-11-01 US disclosed
EP-0014076-B1 HYDANTOIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-02-09 EP disclosed
EP-0014076-A2 Hydantoin derivatives, their preparation and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1980-08-06 EP disclosed