SCHEMBL8779517

SCHEMBL8779517

O=C(CCC1(C(=O)O)CCCC1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
EPHX2 P34913 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL23956955 0.94 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL8571445 0.85 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL1912656 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL8570425 0.83 RAB9A (0.49) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL7442298 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL3399492 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL18780918 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL18780944 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL1177836 0.77 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL4870701 0.77 LMNA (0.54) ALDH1A1L3MBTL1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391673-B2 Preparation of glutaric acid derivatives PFIZER LTD (GB) 1997-04-02 EP disclosed
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
CN-1016778-B spiro-substituted glutaric acid monoamides PFIZER LTD (GB) 1992-05-27 CN 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-0391673-A1 Preparation of glutaric acid derivatives Pfizer Limited (GB) 1990-10-10 EP disclosed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP disclosed
CN-87107371-A The glutaramide diuretic agents of spiral shell-replacement 1988-07-06 CN disclosed