SCHEMBL10350145

SCHEMBL10350145

OC(C#CC#CC(O)(c1ccccc1)c1ccccc1F)(c1ccccc1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.46
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.36
KIF11 P52732 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TBXA2R P21731 1/20 0.34
CCKBR P32239 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 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
SCHEMBL11049277 0.86 KCNN4 (0.44) KCNN4KCNE1KCNQ1ALDH1A1KMT2A
SCHEMBL9670139 0.83 KCNN4 (0.47) KCNN4KCNE1KCNQ1ALDH1A1KIF11
SCHEMBL28029771 0.81 KCNN4 (0.50) KCNN4KCNE1KCNQ1ALDH1A1KIF11
SCHEMBL414397 0.80 ALDH1A1 (0.50) KCNN4ALDH1A1KMT2ACHRM2CHRM3
SCHEMBL487445 0.78 KCNN4 (0.48) KCNN4ALDH1A1KMT2AKIF11CHRM2
SCHEMBL10349828 0.78 ALDH1A1 (0.37) ALDH1A1KMT2ACHRM2CHRM3KDM4E
SCHEMBL10384133 0.76 ATM (0.41) KCNN4KCNE1KCNQ1ALDH1A1KMT2A
SCHEMBL9626191 0.74 ALDH1A1 (0.46) KCNN4ALDH1A1KMT2ACHRM2CHRM3
SCHEMBL2243767 0.74 KCNN4 (0.53) KCNN4KCNE1KCNQ1ALDH1A1KIF11
SCHEMBL11586019 0.74 KCNN4 (0.53) KCNN4KCNE1KCNQ1ALDH1A1KIF11

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
EP-0220887-B1 METHOD OF OPTICALLY RESOLVING A RACEMATE OR A DIASTEREOMERIC MIXTURE OF GLYCIDYL COMPOUND Daiso Co., Ltd. (JP) 1990-06-27 EP disclosed
US-4841081-A Method of optically resolving a racemate or a diastereomeric mixture of glycidyl compound OSAKA SODA CO., LTD. (JP) 1989-06-20 US disclosed
EP-0220887-A1 Method of optically resolving a racemate or a diastereomeric mixture of glycidyl compound Daiso Co., Ltd. (JP) 1987-05-06 EP disclosed