SCHEMBL9470496

SCHEMBL9470496

COCCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 5/20 0.47
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TSHR P16473 3/20 0.44
CYP3A4 P08684 1/20 0.44
CTSB P07858 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 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
SCHEMBL27275066 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL21508984 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL13445873 0.83 TDP1 (0.44) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL19105243 0.83 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL17724576 0.83 CHRM1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL28428867 0.81 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL28274065 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL26757958 0.80 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL19105272 0.80 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL15177646 0.80 HTT (0.49) ALDH1A1TDP1MAPK1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP disclosed