SCHEMBL7440964

SCHEMBL7440964

CCCC(N)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTR2C P28335 1/20 0.40
SLC15A1 P46059 1/20 0.39

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
SCHEMBL28362146 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
SCHEMBL28366123 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
SCHEMBL149592 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
SCHEMBL8674203 0.89 CETP (0.48) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
SCHEMBL2963546 0.89 CETP (0.48) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
SCHEMBL8643594 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
SCHEMBL7476437 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
SCHEMBL4550673 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
SCHEMBL27486548 0.86 GRM2 (0.43) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1
Hydrochloric Acid SCHEMBL11265034 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HIF1ATDP1MAPK1

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
CN-110869375-B 2-oxo-1-imidazolidinylimidazothiadiazole derivatives UCB生物制药有限责任公司 2022-08-30 CN disclosed
CN-110869375-A 2-oxo-1-imidazolidinylimidazothiadiazole derivatives UCB生物制药有限责任公司 2020-03-06 CN disclosed
CN-102229609-A Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORP 2011-11-02 CN disclosed
CN-101031569-B Quinazolinones as human phosphatidylinositol 3-kinase delta inhibitors ICOS CORP 2011-06-22 CN disclosed
CN-101805340-A Beta-chain simulative and methods involving thereof CHOONGWAE PHARMA CORP 2010-08-18 CN disclosed
CN-101031569-A Quinazolinones as human phosphatidylinositol 3-kinase delta inhibitors ICOS CORP (US) 2007-09-05 CN disclosed
CN-1802378-A Beta-strand mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2006-07-12 CN disclosed
US-5919790-A ANTIINFLAMMATORY AGENT; THERAPY FOR STROKE, SEPTIC SHOCK;ALZHEIMER*S DISEASE WARNER-LAMBERT COMPANY (US) 1999-07-06 US disclosed