SCHEMBL8995839

SCHEMBL8995839

CCCC(=O)OC(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ESR1 P03372 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ESR2 Q92731 1/20 0.43
CA14 Q9ULX7 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
Phosphoric Acid SCHEMBL29018246 0.93 TDP1 (0.46) TDP1ALDH1A1MAPTTHRBL3MBTL1
SCHEMBL20485512 0.92 ALDH1A1 (0.58) TDP1ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL6098839 0.90 TDP1 (0.57) TDP1ALDH1A1MAPTKMT2AGAA
SCHEMBL27818338 0.88 L3MBTL1 (0.47) TDP1ALDH1A1MAPTTHRBL3MBTL1
SCHEMBL16174997 0.86 TDP1 (0.57) TDP1ALDH1A1MAPTTHRBL3MBTL1
SCHEMBL10579985 0.85 HSD17B3 (0.58) TDP1ALDH1A1MAPTKMT2ALMNA
Phosphoric Acid SCHEMBL29018004 0.84 LMNA (0.45) TDP1ALDH1A1MAPTTHRBL3MBTL1
SCHEMBL28060939 0.84 L3MBTL1 (0.48) TDP1ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL8591084 0.84 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1KMT2ANPC1
SCHEMBL4688387 0.84 HTR7 (0.51) ALDH1A1MAPTKMT2AGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088824-A Preparation method of alpha-1, 3, 5-triazine thioketone compound 浙江工业大学 2023-11-21 CN disclosed
CN-111240156-A Photosensitive resin composition, method for producing patterned cured film, and patterned cured film 东京应化工业株式会社 2020-06-05 CN disclosed
US-5554617-A Method for treating cancer with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1996-09-10 US disclosed
US-5434157-A Active against herpes, hepatitis, papovavirus THE UPJOHN COMPANY (US) 1995-07-18 US disclosed
US-5002951-A 2-amino-5-halo-4-pyrimidinol for bactericides and antiprotozoa agent THE UPJOHN COMPANY (US) 1991-03-26 US disclosed
US-4665077-A IMMUNOREGULATORY AGENTS THE UPJOHN COMPANY (US) 1987-05-12 US disclosed
US-4619933-A 6-aryl pyrimidines for treating aplastic anemia THE UPJOHN COMPANY (US) 1986-10-28 US disclosed
US-4543248-A Method for immunoregulation with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-09-24 US disclosed
US-4507302-A Method for treating arthritis with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-03-26 US disclosed