SCHEMBL9624319

SCHEMBL9624319

O=C(Cc1ccccc1)OCSc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PAM P19021 1/20 0.58
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
LMNA P02545 1/20 0.44
MGLL Q99685 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 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
SCHEMBL24991262 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL27166998 0.80 FFAR1 (0.47) ALDH1A1MAPK1L3MBTL1TSHRTDP1
SCHEMBL6535141 0.80 FFAR1 (0.47) ALDH1A1MAPK1KMT2ATDP1FFAR1
SCHEMBL10401993 0.79 FFAR1 (0.54) ALDH1A1MAPK1KMT2AFFAR1LMNA
SCHEMBL10401991 0.77 FFAR1 (0.52) ALDH1A1MAPK1KMT2AFFAR1LMNA
SCHEMBL1434644 0.77 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL6535462 0.76 FFAR1 (0.43) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL6248478 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1TSHRKMT2A
SCHEMBL361779 0.75 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL5663575 0.75 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1PAMTSHR

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-0300828-B1 IODINATED ESTERS NYCOMED AS (NO) 1992-03-18 EP disclosed
WO-1989000988-A1 IODINATED ESTERS NYCOMED AS (NO) 1989-02-09 WO disclosed
EP-0300828-A1 Iodinated esters NYCOMED AS (NO) 1989-01-25 EP disclosed